mycobacterial arabinogalactan containing linear arabinofuran
Chemical Formula:
C514H834NO382P2
Molecular Weight:
13201.967 Daltons
Monoisotopic Mass:
13197.557534535099 Daltons
SMILES:
CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%86(OC(CO)C(OC%85(OC(C)C(OC%84(C(O)C(O)C(C(OC%83(C(O)C(O)C(C(O)COC%82(C(O)C(O)C(C(OC%81(C(O)C(O)C(C(OC%18(C(O)C(O)C(COC%17(C(O)C(O)C(COC%16(C(O)C(O)C(COC%15(C(O)C(O)C(COC%14(C(O)C(O)C(COC%13(C(O)C(O)C(COC%12(C(O)C(O)C(COC%11(C(O)C(O)C(COC%10(C(O)C(O)C(COC9(C(O)C(O)C(COC8(C(O)C(O)C(COC7(C(O)C(O)C(COC6(C(O)C(O)C(COC5(C(O)C(O)C(COC4(C(O)C(O)C(COC3(C(O)C(O)C(COC2(C(O)C(O)C(COC1(C(O)C(O)C(CO)O1))O2))O3))O4))O5))O6))O7))O8))O9))O%10))O%11))O%12))O%13))O%14))O%15))O%16))O%17))O%18))COC%80(C(O)C(O)C(C(OC%79(C(O)C(O)C(C(OC%36(C(O)C(O)C(COC%35(C(O)C(O)C(COC%34(C(O)C(O)C(COC%33(C(O)C(O)C(COC%32(C(O)C(O)C(COC%31(C(O)C(O)C(COC%30(C(O)C(O)C(COC%29(C(O)C(O)C(COC%28(C(O)C(O)C(COC%27(C(O)C(O)C(COC%26(C(O)C(O)C(COC%25(C(O)C(O)C(COC%24(C(O)C(O)C(COC%23(C(O)C(O)C(COC%22(C(O)C(O)C(COC%21(C(O)C(O)C(COC%20(C(O)C(O)C(COC%19(C(O)C(O)C(CO)O%19))O%20))O%21))O%22))O%23))O%24))O%25))O%26))O%27))O%28))O%29))O%30))O%31))O%32))O%33))O%34))O%35))O%36))COC%78(C(O)C(O)C(C(OC%77(C(O)C(O)C(C(OC%54(C(O)C(O)C(COC%53(C(O)C(O)C(COC%52(C(O)C(O)C(COC%51(C(O)C(O)C(COC%50(C(O)C(O)C(COC%49(C(O)C(O)C(COC%48(C(O)C(O)C(COC%47(C(O)C(O)C(COC%46(C(O)C(O)C(COC%45(C(O)C(O)C(COC%44(C(O)C(O)C(COC%43(C(O)C(O)C(COC%42(C(O)C(O)C(COC%41(C(O)C(O)C(COC%40(C(O)C(O)C(COC%39(C(O)C(O)C(COC%38(C(O)C(O)C(COC%37(C(O)C(O)C(CO)O%37))O%38))O%39))O%40))O%41))O%42))O%43))O%44))O%45))O%46))O%47))O%48))O%49))O%50))O%51))O%52))O%53))O%54))COC%76(C(O)C(O)C(C(OC%75(C(O)C(O)C(C(O)COC%74(C(O)C(O)C(C(OC%73(=C([O-])C(O)C(C(O)COC%72(C(O)C(O)C(C(OC%71(C(O)C(O)C(C(O)COC%70(C(O)C(O)C(C(OC%69(C(O)C(O)C(C(O)COC%68(C(O)C(O)C(C(OC%67(C(O)C(O)C(C(O)COC%66(C(O)C(O)C(C(OC%65(C(O)C(O)C(C(O)COC%64(C(O)C(O)C(C(OC%63(C(O)C(O)C(C(O)COC%62(C(O)C(O)C(C(OC%61(C(O)C(O)C(C(O)COC%60(C(O)C(O)C(C(OC%59(C(O)C(O)C(C(O)COC%58(C(O)C(O)C(C(OC%57(C(O)C(O)C(C(O)COC%56(C(O)C(O)C(C(OC%55(C(O)C(O)C(C(O)CO)O%55))CO)O%56))O%57))CO)O%58))O%59))CO)O%60))O%61))CO)O%62))O%63))CO)O%64))O%65))CO)O%66))O%67))CO)O%68))O%69))CO)O%70))O%71))CO)O%72))O%73))CO)O%74))O%75))CO)O%76))O%77))CO)O%78))O%79))CO)O%80))O%81))CO)O%82))O%83))CO)O%84))C(O)C(O)%85))C(O)C(NC(C)=O)%86))C
InChI:
1S/C514H837NO382P2/c1-14-128(2)24-15-25-129(3)26-16-27-130(4)28-17-29-131(5)30-18-31-132(6)32-19-33-133(7)34-20-35-134(8)36-21-37-135(9)38-22-39-136(10)40-23-41-137(11)62-789-898(720,721)897-899(722,723)896-429-225(515-139(13)536)280(603)410(155(46-520)794-429)891-495-380(703)281(604)397(138(12)790-495)864-514-396(719)308(631)425(892-514)170(61-535)806-510-392(715)293(616)409(876-510)151(548)73-734-491-376(699)304(627)421(887-491)167(58-532)807-511-393(716)309(632)426(893-511)223(862-497-364(687)278(601)220(859-497)123-784-479-361(684)275(598)217(856-479)120-781-476-358(681)272(595)214(853-476)117-778-473-355(678)269(592)211(850-473)114-775-470-352(675)266(589)208(847-470)111-772-467-349(672)263(586)205(844-467)108-769-464-346(669)260(583)202(841-464)105-766-461-343(666)257(580)199(838-461)102-763-458-340(663)254(577)196(835-458)99-760-455-337(660)251(574)193(832-455)96-757-452-334(657)248(571)190(829-452)93-754-449-331(654)245(568)187(826-449)90-751-446-328(651)242(565)184(823-446)87-748-443-325(648)239(562)181(820-443)84-745-440-322(645)236(559)178(817-440)81-742-437-319(642)233(556)175(814-437)78-739-434-316(639)230(553)172(811-434)75-736-431-313(636)227(550)153(44-518)792-431)126-787-493-378(701)306(629)423(889-493)169(60-534)809-513-395(718)311(634)428(895-513)224(863-498-365(688)279(602)221(860-498)124-785-480-362(685)276(599)218(857-480)121-782-477-359(682)273(596)215(854-477)118-779-474-356(679)270(593)212(851-474)115-776-471-353(676)267(590)209(848-471)112-773-468-350(673)264(587)206(845-468)109-770-465-347(670)261(584)203(842-465)106-767-462-344(667)258(581)200(839-462)103-764-459-341(664)255(578)197(836-459)100-761-456-338(661)252(575)194(833-456)97-758-453-335(658)249(572)191(830-453)94-755-450-332(655)246(569)188(827-450)91-752-447-329(652)243(566)185(824-447)88-749-444-326(649)240(563)182(821-444)85-746-441-323(646)237(560)179(818-441)82-743-438-320(643)234(557)176(815-438)79-740-435-317(640)231(554)173(812-435)76-737-432-314(637)228(551)154(45-519)793-432)127-788-494-379(702)307(630)424(890-494)168(59-533)808-512-394(717)310(633)427(894-512)222(861-496-363(686)277(600)219(858-496)122-783-478-360(683)274(597)216(855-478)119-780-475-357(680)271(594)213(852-475)116-777-472-354(677)268(591)210(849-472)113-774-469-351(674)265(588)207(846-469)110-771-466-348(671)262(585)204(843-466)107-768-463-345(668)259(582)201(840-463)104-765-460-342(665)256(579)198(837-460)101-762-457-339(662)253(576)195(834-457)98-759-454-336(659)250(573)192(831-454)95-756-451-333(656)247(570)189(828-451)92-753-448-330(653)244(567)186(825-448)89-750-445-327(650)241(564)183(822-445)86-747-442-324(647)238(561)180(819-442)83-744-439-321(644)235(558)177(816-439)80-741-436-318(641)232(555)174(813-436)77-738-433-315(638)229(552)171(810-433)74-735-430-312(635)226(549)152(43-517)791-430)125-786-492-377(700)305(628)422(888-492)166(57-531)805-509-391(714)292(615)408(875-509)150(547)72-733-490-375(698)303(626)420(886-490)165(56-530)804-508-390(713)291(614)407(874-508)149(546)71-732-489-374(697)302(625)419(885-489)164(55-529)803-507-389(712)290(613)406(873-507)148(545)70-731-488-373(696)301(624)418(884-488)163(54-528)802-506-388(711)289(612)405(872-506)147(544)69-730-487-372(695)300(623)417(883-487)162(53-527)801-505-387(710)288(611)404(871-505)146(543)68-729-486-371(694)299(622)416(882-486)161(52-526)800-504-386(709)287(610)403(870-504)145(542)67-728-485-370(693)298(621)415(881-485)160(51-525)799-503-385(708)286(609)402(869-503)144(541)66-727-484-369(692)297(620)414(880-484)159(50-524)798-502-384(707)285(608)401(868-502)143(540)65-726-483-368(691)296(619)413(879-483)158(49-523)797-501-383(706)284(607)400(867-501)142(539)64-725-482-367(690)295(618)412(878-482)157(48-522)796-500-382(705)283(606)399(866-500)141(538)63-724-481-366(689)294(617)411(877-481)156(47-521)795-499-381(704)282(605)398(865-499)140(537)42-516/h14,25,27,29,31,33,35,37,39,41,138,140-389,391-507,509-514,516-535,537-719H,15-24,26,28,30,32,34,36,38,40,42-127H2,1-13H3,(H,515,536)(H,720,721)(H,722,723)/p-3/b128-14-,129-25-,130-27-,131-29-,132-31-,133-33-,134-35-,135-37-,136-39+,137-41+/t138-,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161-,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,214+,215+,216+,217+,218+,219+,220+,221+,222+,223+,224+,225+,226+,227+,228+,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240+,241+,242+,243+,244+,245+,246+,247+,248+,249+,250+,251+,252+,253+,254+,255+,256+,257+,258+,259+,260+,261+,262+,263+,264+,265+,266+,267+,268+,269+,270+,271+,272+,273+,274+,275+,276+,277+,278+,279+,280+,281-,282+,283+,284+,285+,286+,287+,288+,289+,290+,291+,292+,293+,294+,295+,296+,297+,298+,299+,300+,301+,302+,303+,304+,305+,306+,307+,308+,309+,310+,311+,312-,313-,314-,315-,316-,317-,318-,319-,3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InChIKey:
Databases
MetaCyc:
CPD-12054
Seed:
cpd23216
MetaNetX:
MNXM12299