CHEBI:225915 - Chrysogeamide D

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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 D
ChEBI ID CHEBI:225915
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H51N5O7
Net Charge 0
Average Mass 629.799
Monoisotopic Mass 629.37885
InChI InChI=1S/C33H51N5O7/c1-8-21(6)27-17-28(39)34-18-29(40)36-24(14-19(2)3)32(43)37-25(15-20(4)5)31(42)35-22(7)30(41)38-26(33(44)45-27)16-23-12-10-9-11-13-23/h9-13,19-22,24-27H,8,14-18H2,1-7H3,(H,34,39)(H,35,42)(H,36,40)(H,37,43)(H,38,41)/t21-,22-,24+,25+,26-,27-/m0/s1
InChIKey HGTQKQGUQIZRAJ-XISQYIGNSA-N
SMILES O=C1O[C@H]([C@H](CC)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 D (CHEBI:225915) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12R,19S)-3-benzyl-19-[(2S)-butan-2-yl]-6-methyl-9,12-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual Xref Database
71116015 ChemSpider
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