(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
Chemical Formula:
C45H68N7O17P3S
Molecular Weight:
1104.05 Daltons
Monoisotopic Mass:
1107.3918241433 Daltons
SMILES:
CCC=CCC=CCC=CCC=CCC=CCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O
InChI:
1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1
InChIKey:
Synonyms
- tetracosapentaenoyl-CoA
- all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA
- (9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl-CoA
Databases
MetaCyc:
CPD-17331
ChEBI:
74083
PubChem (CID):
71581213
Seed:
cpd14888
HMDB:
HMDB62250
MetaNetX:
MNXM1513
KEGG:
C16167