trans-cerot-2-enoyl-CoA

Chemical Formula:

C₄₇H₈₀N₇O₁₇P₃S

Molecular Weight:

1140.167 Daltons

Monoisotopic Mass:

1143.4857245285 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC=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/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/b27-26+/t36-,40-,41-,42+,46-/m1/s1

InChIKey:

GGUUXBBWTGIIGE-KESUDTCVSA-J

Synonyms

trans-2,3-dihydro-cerotenoyl-CoA
(2E)-cerotenoyl-CoA

Databases

MetaCyc: CPD-14283

RefMet: 2E-hexacosenoyl-CoA

PubChem (CID): 71581195

ChEBI: 74281

Reactome: 390249

HMDB: HMDB62228

MetaNetX: MNXM114303