CHEBI:212093 - Yanucamide 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 Yanucamide A
ChEBI ID CHEBI:212093
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H47N3O7
Net Charge 0
Average Mass 597.753
Monoisotopic Mass 597.34140
InChI InChI=1S/C33H47N3O7/c1-9-10-12-17-25-33(6,7)32(41)35-27(21(2)3)31(40)43-28(22(4)5)30(39)36(8)24(20-23-15-13-11-14-16-23)29(38)34-19-18-26(37)42-25/h1,11,13-16,21-22,24-25,27-28H,10,12,17-20H2,2-8H3,(H,34,38)(H,35,41)/t24-,25?,27+,28+/m1/s1
InChIKey UJLAUQGSVXILEB-AEDGQBGKSA-N
SMILES O=C1N[C@H](C(=O)O[C@H](C(=O)N([C@H](CC2=CC=CC=C2)C(NCCC(OC(C1(C)C)CCCC#C)=O)=O)C)C(C)C)C(C)C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Yanucamide A (CHEBI:212093) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S,5R,16S)-5-benzyl-4,13,13-trimethyl-12-pent-4-ynyl-2,16-di(propan-2-yl)-1,11-dioxa-4,7,15-triazacycloheptadecane-3,6,10,14,17-pentone
Manual Xref Database
10276180 ChemSpider
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