CHEBI:167911 - sch 210971(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name sch 210971(2−)
ChEBI ID CHEBI:167911
ChEBI ASCII Name sch 210971(2-)
Definition Based on the structure elucidated in pmid:26360642 for sch 210972 as it is synthesized from the same precursor as described in pmid:25885659
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C25H33NO6
Net Charge -2
Average Mass 443.541
Monoisotopic Mass 443.23188
InChI InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/p-2/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25+/m0/s1
InChIKey AVZATKWNGXCSDN-UGIHOUBQSA-L
SMILES C1[C@@H](C[C@]2([C@]([C@@H]1C)([C@H]([C@](C=C2)(/C(/C)=C/C)[H])/C(/[O-])=C/3\C([C@@H](NC3=O)C[C@@](C(=O)[O-])(C)O)=O)[H])[H])C
ChEBI Ontology
Outgoing sch 210971(2−) (CHEBI:167911) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
sch 210971(2−) (CHEBI:167911) is conjugate base of sch 210971 (CHEBI:68748)
Incoming sch 210971 (CHEBI:68748) is conjugate acid of sch 210971(2−) (CHEBI:167911)
Synonym Source
sch 210971 UniProt
Citations Waiting for Citations Types Sources
25885659 PubMed citation SUBMITTER
26360642 PubMed citation SUBMITTER