(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA

Chemical Formula:

C₄₅H₇₀N₇O₁₇P₃S

Molecular Weight:

1106.066 Daltons

Monoisotopic Mass:

1109.4074742075002 Daltons

SMILES:

CCCCCC=CCC=CCC=CCC=CCCCCCCCC(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-])=O

InChI:

1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1

InChIKey:

OKOXEYTYHDPTEW-GJYKHRJNSA-J

Synonyms

(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl-CoA

Databases

MetaCyc: CPD-17328

ChEBI: 74087

PubChem (CID): 71581220

Reactome: 2046048

Seed: cpd14892

HMDB: HMDB62249

MetaNetX: MNXM1512

KEGG: C16171