lauroyl-CoA

Chemical Formula:

C₃₃H₅₄N₇O₁₇P₃S

Molecular Weight:

945.808 Daltons

Monoisotopic Mass:

949.2822736939 Daltons

SMILES:

CCCCCCCCCCCC(=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/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1

InChIKey:

YMCXGHLSVALICC-GMHMEAMDSA-J

Synonyms

dodecanoyl-CoA (n-C12:0CoA)
lauroyl coenzyme A
dodecanoyl-CoA

Databases

MetaCyc: LAUROYLCOA-CPD

BiGG: ddcacoa

RefMet: Lauroyl-CoA

MetaboLights: MTBLC57375

HMDB: HMDB03571

ChEBI: 57375

PubChem (CID): 25113193 165436

KEGG: C01832

CAS: 6244-92-4

Reactome: 77261

Seed: cpd01260

MetaNetX: MNXM363