CHEBI:204660 - Chrondramide 15

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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 Chrondramide 15
ChEBI ID CHEBI:204660
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H42Cl2N4O7
Net Charge 0
Average Mass 701.640
Monoisotopic Mass 700.24306
InChI InChI=1S/C35H42Cl2N4O7/c1-17-13-18(2)21(5)48-35(47)30(43)29(22-11-12-28(42)25(36)15-22)40-33(45)27(16-24-23-9-7-8-10-26(23)39-31(24)37)41(6)34(46)20(4)38-32(44)19(3)14-17/h7-13,15,18-21,27,29-30,39,42-43H,14,16H2,1-6H3,(H,38,44)(H,40,45)/b17-13-/t18-,19-,20-,21+,27+,29?,30-/m0/s1
InChIKey GRUNSOOAJGMTRC-NENBKXHHSA-N
SMILES ClC1=C(O)C=CC(=C1)C2NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](C)CC(=C[C@@H]([C@H](OC([C@H]2O)=O)C)C)C)C)C)CC3=C(Cl)NC4=C3C=CC=C4
Metabolite of Species Details
Chondromyces (NCBI:txid50) 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 Chrondramide 15 (CHEBI:204660) is a peptide (CHEBI:16670)
IUPAC Name
(3S,7R,10S,13S,15Z,17S,18R)-4-(3-chloro-4-hydroxyphenyl)-7-[(2-chloro-1H-indol-3-yl)methyl]-3-hydroxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
Manual Xref Database
78442591 ChemSpider
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