(S)-3-hydroxyhexadecanoyl-CoA

Chemical Formula:

C₃₇H₆₂N₇O₁₈P₃S

Molecular Weight:

1017.914 Daltons

Monoisotopic Mass:

1021.3397885728001 Daltons

SMILES:

CCCCCCCCCCCCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O

InChI:

1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t25-,26+,30+,31+,32?,36+/m0/s1

InChIKey:

DEHLMTDDPWDRDR-QQOJFMBSSA-J

Synonyms

3S-hydroxyhexadecanoyl-AoA
(S)-3-hydroxypalmitoyl-CoA

Databases

MetaCyc: CPD0-2232

BiGG: 3hhdcoa

HMDB: HMDB03932

ChEBI: 62613

PubChem (CID): 49859614 53262365

KEGG: C05258

Reactome: 77300

Seed: cpd03113

MetaNetX: MNXM825