CHEBI:144392 - Cytochalasin A

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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 Cytochalasin A
ChEBI ID CHEBI:144392
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C29H35NO5
Net Charge 0
Average Mass 477.593
Monoisotopic Mass 477.252
InChI InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,23+,24+,26+,27-,29-/m1/s1
InChIKey ZMAODHOXRBLOQO-TZVKRXPSSA-N
SMILES O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@H](C)CCCC(C=C1)=O)O)=C)CC4=CC=CC=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain BALB/c [EFO:0000602] See: MetaboLights Study
ChEBI Ontology
Outgoing Cytochalasin A (CHEBI:144392) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione
Manual Xref Database
C19953 KEGG COMPOUND
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