(S)-3-hydroxyoctanoyl-CoA
Chemical Formula:
C29H46N7O18P3S
Molecular Weight:
905.7 Daltons
Monoisotopic Mass:
909.2145880592 Daltons
SMILES:
CCCCCC(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/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,18+,22+,23+,24?,28+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD0-2224
MetaboLights:
MTBLC28632
HMDB:
HMDB03940
LIPID MAPS:
LMFA07050015
BiGG:
45460
PubChem (CID):
49859641
ChEBI:
28632
KEGG:
C05266