CHEBI:211932 - Cristatin 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 Cristatin A
ChEBI ID CHEBI:211932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H37N3O2
Net Charge 0
Average Mass 459.634
Monoisotopic Mass 459.28858
InChI InChI=1S/C29H37N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-13-20(12-10-17(2)3)21(25(22)32-26)14-11-18(4)5/h9-11,13,15-16,19,32H,1,12,14H2,2-8H3,(H,30,34)(H,31,33)/b24-16-/t19-/m0/s1
InChIKey RERRWNNFPWXUTC-UZXDDYOISA-N
SMILES O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C(=C(CC=C(C)C)C=C3)CC=C(C)C)NC2C(C=C)(C)C)C
Metabolite of Species Details
Aspergillus restrictus (NCBI:txid5064) See: PubMed
ChEBI Ontology
Outgoing Cristatin A (CHEBI:211932) has functional parent α-amino acid (CHEBI:33704)
Cristatin A (CHEBI:211932) is a organonitrogen compound (CHEBI:35352)
Cristatin A (CHEBI:211932) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-6,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Manual Xref Database
552273 ChemSpider
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