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CHEBI:142976 - marinoloyl-CoA C(4−)

ChEBI IDCHEBI:142976
ChEBI Namemarinoloyl-CoA C(4−)
Stars
ASCII Namemarinoloyl-CoA C(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC46H72N7O23P3S
Net Charge-4
Average Mass1216.097
Monoisotopic Mass1215.36351
SMILESC/C(=C\C(=O)OCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C46H76N7O23P3S/c1-27(20-31-38(59)37(58)30(22-71-31)13-11-12-28(2)29(3)54)21-34(56)70-18-10-8-6-7-9-14-35(57)80-19-17-48-33(55)15-16-49-44(62)41(61)46(4,5)24-73-79(68,69)76-78(66,67)72-23-32-40(75-77(63,64)65)39(60)45(74-32)53-26-52-36-42(47)50-25-51-43(36)53/h11-12,21,25-26,28-32,37-41,45,54,58-61H,6-10,13-20,22-24H2,1-5H3,(H,48,55)(H,49,62)(H,66,67)(H,68,69)(H2,47,50,51)(H2,63,64,65)/p-4/b12-11+,27-21+/t28-,29+,30+,31+,32-,37-,38+,39-,40-,41+,45-/m1/s1
InChIKeyGTZVPCXLFKVDJU-BPAGBPQKSA-J
ChEBI Ontology
Outgoing Relation(s)
marinoloyl-CoA C(4−) (CHEBI:142976) is a acyl-CoA oxoanion (CHEBI:58946)
UniProt Name  Source
marinoloyl-CoA CUniProt
Manual XrefsDatabases
CPD-18979MetaCyc
Citations