CHEBI:202463 - Calcaripeptide 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 Calcaripeptide A
ChEBI ID CHEBI:202463
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36N2O5
Net Charge 0
Average Mass 468.594
Monoisotopic Mass 468.26242
InChI InChI=1S/C27H36N2O5/c1-17-12-13-19(3)34-27(33)23-11-8-14-29(23)26(32)22(16-21-9-6-5-7-10-21)28-25(31)20(4)24(30)18(2)15-17/h5-7,9-10,15,17,19-20,22-23H,8,11-14,16H2,1-4H3,(H,28,31)/b18-15+/t17-,19-,20+,22+,23+/m1/s1
InChIKey OQMLOMRYHZYBNH-MTXYPNDYSA-N
SMILES O=C1N2[C@H](C(=O)O[C@@H](CC[C@@H](C)C=C(C([C@@H](C(N[C@H]1CC3=CC=CC=C3)=O)C)=O)C)C)CCC2
Metabolite of Species Details
Calcarisporium (NCBI:txid150368) See: PubMed
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 Calcaripeptide A (CHEBI:202463) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,8E,10R,13R,16S)-3-benzyl-6,8,10,13-tetramethyl-14-oxa-1,4-diazabicyclo[14.3.0]nonadec-8-ene-2,5,7,15-tetrone
Manual Xref Database
29784933 ChemSpider
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