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CHEBI:756133 - vinglycinate sulfate

Default Structure
ChEBI IDCHEBI:756133
ChEBI Namevinglycinate sulfate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O4S.C48H63N5O9.C48H63N5O9.H2O4S.H2O4S
Net Charge0
Average Mass2002.353
Monoisotopic Mass2000.82730
SMILESO=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[H][C@@]12CN(CCc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@]3([H])[C@@](O)(C(=O)OC)[C@]([H])(OC(=O)CN(C)C)[C@]5(CC)C=CCN6CC[C@]43[C@@]65[H])C1)C[C@](O)(CC)C2.[H][C@@]12CN(CCc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@]3([H])[C@@](O)(C(=O)OC)[C@]([H])(OC(=O)CN(C)C)[C@]5(CC)C=CCN6CC[C@]43[C@@]65[H])C1)C[C@](O)(CC)C2
InChIInChI=1S/2C48H63N5O9.3H2O4S/c2*1-9-44(57)24-29-25-47(42(55)60-7,38-31(16-20-52(26-29)28-44)30-14-11-12-15-34(30)49-38)33-22-32-35(23-36(33)59-6)51(5)40-46(32)18-21-53-19-13-17-45(10-2,39(46)53)41(48(40,58)43(56)61-8)62-37(54)27-50(3)4;3*1-5(2,3)4/h2*11-15,17,22-23,29,39-41,49,57-58H,9-10,16,18-21,24-28H2,1-8H3;3*(H2,1,2,3,4)/t2*29-,39-,40+,41+,44-,45+,46+,47-,48-;;;/m00.../s1
InChIKeyDVPVGSLIUJPOCJ-XXRQFBABSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
vinglycinate sulfate (CHEBI:756133) is a vinca alkaloid (CHEBI:27288)
Synonyms  Source
49040ChEMBL
Vinglycinate sulfateChEMBL
Vinglycinate sulphateChEMBL