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CHEBI:142977 - pseudomonoyl-CoA C(4−)

ChEBI IDCHEBI:142977
ChEBI Namepseudomonoyl-CoA C(4−)
Stars
ASCII Namepseudomonoyl-CoA C(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC47H74N7O23P3S
Net Charge-4
Average Mass1230.124
Monoisotopic Mass1229.37916
SMILESC/C(=C\C(=O)OCCCCCCCCC(=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/C47H78N7O23P3S/c1-28(21-32-39(60)38(59)31(23-72-32)14-12-13-29(2)30(3)55)22-35(57)71-19-11-9-7-6-8-10-15-36(58)81-20-18-49-34(56)16-17-50-45(63)42(62)47(4,5)25-74-80(69,70)77-79(67,68)73-24-33-41(76-78(64,65)66)40(61)46(75-33)54-27-53-37-43(48)51-26-52-44(37)54/h12-13,22,26-27,29-33,38-42,46,55,59-62H,6-11,14-21,23-25H2,1-5H3,(H,49,56)(H,50,63)(H,67,68)(H,69,70)(H2,48,51,52)(H2,64,65,66)/p-4/b13-12+,28-22+/t29-,30+,31+,32+,33-,38-,39+,40-,41-,42+,46-/m1/s1
InChIKeyRTZDOFHFRVAJGR-IYGJNVRZSA-J
ChEBI Ontology
Outgoing Relation(s)
pseudomonoyl-CoA C(4−) (CHEBI:142977) is a acyl-CoA oxoanion (CHEBI:58946)
UniProt Name  Source
pseudomonoyl-CoA CUniProt
Manual XrefsDatabases
CPD-18981MetaCyc
Citations