(5Z,8Z,11Z,14Z,17Z)-3-oxodocosapentaenoyl-CoA
Chemical Formula:
C43H62N7O18P3S
Molecular Weight:
1089.98 Daltons
Monoisotopic Mass:
1093.3397885728002 Daltons
SMILES:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)CC(=O)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-]
InChI:
1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1
InChIKey:
Synonyms
- (5Z,8Z,11Z,14Z,17Z)-3-oxodocosa-5,8,11,14,17-pentaenoyl-CoA
- 3-oxodocosapentaenoyl-CoA
Databases
MetaCyc:
CPD-14423
PubChem (CID):
71581097
ChEBI:
73863
Seed:
cpd28753
MetaNetX:
MNXM97401