CHEBI:225910 - Chrysogeamide 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 Chrysogeamide C
ChEBI ID CHEBI:225910
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H59N5O7
Net Charge 0
Average Mass 685.907
Monoisotopic Mass 685.44145
InChI InChI=1S/C37H59N5O7/c1-8-9-10-12-15-25(6)31-21-32(43)38-22-33(44)40-28(18-23(2)3)36(47)41-29(19-24(4)5)35(46)39-26(7)34(45)42-30(37(48)49-31)20-27-16-13-11-14-17-27/h11,13-14,16-17,23-26,28-31H,8-10,12,15,18-22H2,1-7H3,(H,38,43)(H,39,46)(H,40,44)(H,41,47)(H,42,45)/t25-,26-,28+,29+,30-,31-/m0/s1
InChIKey BEFYXGMBMJSBNP-VXKOQRHQSA-N
SMILES O=C1O[C@H]([C@H](CCCCCC)C)CC(=O)NCC(=O)N[C@H](CC(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1CC2=CC=CC=C2)=O)C)=O)CC(C)C)=O
Metabolite of Species Details
Penicillium (NCBI:txid5073) 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 Chrysogeamide C (CHEBI:225910) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12R,19S)-3-benzyl-6-methyl-9,12-bis(2-methylpropyl)-19-[(2S)-octan-2-yl]-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual Xref Database
71116014 ChemSpider
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