CHEBI:220700 - Calcaripeptide C

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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 C
ChEBI ID CHEBI:220700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32N2O5
Net Charge 0
Average Mass 428.529
Monoisotopic Mass 428.23112
InChI InChI=1S/C24H32N2O5/c1-15-11-12-16(2)31-24(30)20-10-7-13-26(20)23(29)19(14-18-8-5-4-6-9-18)25-22(28)17(3)21(15)27/h4-6,8-9,15-17,19-20H,7,10-14H2,1-3H3,(H,25,28)/t15-,16-,17+,19+,20+/m1/s1
InChIKey JFXPTGJYLLVAFU-JOMPHRNESA-N
SMILES O=C1N2[C@H](C(=O)O[C@@H](CC[C@H](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 )
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ChEBI Ontology
Outgoing Calcaripeptide C (CHEBI:220700) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,8R,11R,14S)-3-benzyl-6,8,11-trimethyl-12-oxa-1,4-diazabicyclo[12.3.0]heptadecane-2,5,7,13-tetrone
Manual Xref Database
78440286 ChemSpider
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