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CHEBI:194444 - 4'-phosphopantetheinyl-CoA disulfide(6−)

Default Structure
ChEBI IDCHEBI:194444
ChEBI Name4'-phosphopantetheinyl-CoA disulfide(6−)
Stars
ASCII Name4'-phosphopantetheinyl-CoA disulfide(6-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC32H51N9O23P4S2
Net Charge-6
Average Mass1117.830
Monoisotopic Mass1117.15226
SMILESCC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=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-]
InChIInChI=1S/C32H57N9O23P4S2/c1-31(2,14-60-65(49,50)51)24(45)28(47)36-7-5-19(42)34-9-11-69-70-12-10-35-20(43)6-8-37-29(48)25(46)32(3,4)15-61-68(57,58)64-67(55,56)59-13-18-23(63-66(52,53)54)22(44)30(62-18)41-17-40-21-26(33)38-16-39-27(21)41/h16-18,22-25,30,44-46H,5-15H2,1-4H3,(H,34,42)(H,35,43)(H,36,47)(H,37,48)(H,55,56)(H,57,58)(H2,33,38,39)(H2,49,50,51)(H2,52,53,54)/p-6/t18-,22-,23-,24+,25+,30-/m1/s1
InChIKeyGASVJHINGZNKAZ-KXGUSNQESA-H
ChEBI Ontology
Outgoing Relation(s)
4'-phosphopantetheinyl-CoA disulfide(6−) (CHEBI:194444) is a organic disulfide (CHEBI:35489)
Synonym  Source
CoASSPSUBMITTER
UniProt Name  Source
4'-phosphopantetheinyl-CoA disulfideUniProt
Citations