(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA

Chemical Formula:

C₄₃H₆₂N₇O₁₇P₃S

Molecular Weight:

1073.981 Daltons

Monoisotopic Mass:

1077.3448739507 Daltons

SMILES:

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1

InChIKey:

MENFZXMQSYYVRK-CRCGJGBYSA-J

Synonyms

all-cis-docosa-4,7,10,13,16,19-hexaenoyl-CoA
docosahexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA

Databases

MetaCyc: CPD-17312

RefMet: Docosahexaenoyl-CoA

ChEBI: 74298

PubChem (CID): 71581248

Reactome: 2066765

Seed: cpd14890

HMDB: HMDB62235

MetaNetX: MNXM91778

KEGG: C16169