CHEBI:227927 - Oryzamide C

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 Oryzamide C
ChEBI ID CHEBI:227927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H57N5O7S
Net Charge 0
Average Mass 655.900
Monoisotopic Mass 655.39787
InChI InChI=1S/C32H57N5O7S/c1-9-10-11-12-13-21(6)25-17-26(38)33-18-27(39)37-28(20(4)5)31(42)36-24(16-19(2)3)30(41)34-22(7)29(40)35-23(14-15-45-8)32(43)44-25/h19-25,28H,9-18H2,1-8H3,(H,33,38)(H,34,41)(H,35,40)(H,36,42)(H,37,39)/t21-,22-,23-,24+,25-,28-/m0/s1
InChIKey LRQDGGBYOKMXOJ-BJGQMJBWSA-N
SMILES S(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](C(C)C)NC(CNC(C[C@H](OC1=O)[C@H](CCCCCC)C)=O)=O)CC(C)C)C)C
Metabolite of Species Details
Nigrospora (NCBI:txid114230) 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 Oryzamide C (CHEBI:227927) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12S,19S)-6-methyl-9-(2-methylpropyl)-3-(2-methylsulanylethyl)-19-[(2S)-octan-2-yl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual Xref Database
58197183 ChemSpider
View more database links