(S)-3-hydroxytetradecanoyl-CoA

Chemical Formula:

C₃₅H₅₈N₇O₁₈P₃S

Molecular Weight:

989.861 Daltons

Monoisotopic Mass:

993.3084884444 Daltons

SMILES:

CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O

InChI:

1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t23-,24+,28+,29+,30-,34+/m0/s1

InChIKey:

OXBHKMHNDGRDCZ-STLSENOWSA-J

Databases

MetaCyc: CPD0-2171

RefMet: 3-hydroxymyristoyl-CoA

BiGG: 3htdcoa

HMDB: HMDB03934

ChEBI: 62614

PubChem (CID): 46173488

KEGG: C05260

Reactome: 77276

MetaNetX: MNXM767