CHEBI:225905 - Chrysogeamide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B
ChEBI ID CHEBI:225905
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H57N5O7
Net Charge 0
Average Mass 623.836
Monoisotopic Mass 623.42580
InChI InChI=1S/C32H57N5O7/c1-10-11-12-13-14-21(8)24-16-25(38)33-17-26(39)36-27(19(4)5)31(42)35-23(15-18(2)3)30(41)34-22(9)29(40)37-28(20(6)7)32(43)44-24/h18-24,27-28H,10-17H2,1-9H3,(H,33,38)(H,34,41)(H,35,42)(H,36,39)(H,37,40)/t21-,22-,23+,24-,27-,28-/m0/s1
InChIKey OSDSZHQNFBBDRR-MIABJUDESA-N
SMILES O=C1O[C@H]([C@H](CCCCCC)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1C(C)C)=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 B (CHEBI:225905) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12S,19S)-6-methyl-9-(2-methylpropyl)-19-[(2S)-octan-2-yl]-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual Xref Database
71116013 ChemSpider
View more database links