a nascent peptidoglycan (meso-DAP containing) with GlcNAc terminus

a nascent peptidoglycan (<i>meso</i>-DAP containing) with GlcNAc terminus




Chemical Formula:
C92H147N7O27P2
Molecular Weight:
1845.151 Daltons
Monoisotopic Mass:
1849.0211407323002 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C)C)C)C)C)C)C
InChI:
1S/C92H151N7O27P2/c1-57(2)29-18-30-58(3)31-19-32-59(4)33-20-34-60(5)35-21-36-61(6)37-22-38-62(7)39-23-40-63(8)41-24-42-64(9)43-25-44-65(10)45-26-46-66(11)47-27-48-67(12)53-54-120-127(116,117)126-128(118,119)125-92-80(97-72(17)103)84(83(77(56-101)123-92)124-91-79(96-71(16)102)82(106)81(105)76(55-100)122-91)121-70(15)86(108)94-68(13)85(107)99-75(90(114)115)51-52-78(104)98-74(50-28-49-73(93)89(112)113)87(109)95-69(14)88(110)111/h29,31,33,35,37,39,41,43,45,47,53,68-70,73-77,79-84,91-92,100-101,105-106H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-56,93H2,1-17H3,(H,94,108)(H,95,109)(H,96,102)(H,97,103)(H,98,104)(H,99,107)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)/p-4/b58-31+,59-33+,60-35-,61-37-,62-39-,63-41-,64-43-,65-45-,66-47-,67-53-/t68-,69+,70+,73+,74-,75+,76+,77+,79+,80+,81+,82+,83+,84+,91-,92?/m0/s1
InChIKey:
ZJUCBLJPWMJPPP-ZBZLBUFYSA-J

Databases
MetaCyc:  CPD-18808
PubChem (CID):  122706251
MetaNetX:  MNXM166801