CHEBI:219571 - Rhizomide B

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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 Rhizomide B
ChEBI ID CHEBI:219571
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H53N7O11
Net Charge 0
Average Mass 747.847
Monoisotopic Mass 747.38031
InChI InChI=1S/C35H53N7O11/c1-16(2)13-24(38-21(8)44)32(49)42-28-20(7)53-35(52)27(17(3)4)41-33(50)26(15-43)40-30(47)19(6)36-29(46)18(5)37-31(48)25(39-34(28)51)14-22-9-11-23(45)12-10-22/h9-12,16-20,24-28,43,45H,13-15H2,1-8H3,(H,36,46)(H,37,48)(H,38,44)(H,39,51)(H,40,47)(H,41,50)(H,42,49)/t18-,19+,20-,24+,25-,26-,27+,28+/m1/s1
InChIKey XMCXDNFMMPNGJR-MRMWMUPGSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C)C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CO)=O)C)=O)CC2=CC=C(O)C=C2)C
Metabolite of Species Details
Mycetohabitans rhizoxinica HKI 454 (NCBI:txid882378) 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 Rhizomide B (CHEBI:219571) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-acetamido-N-[(3S,6R,9S,12R,15R,18S,19R)-6-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9,12,19-trimethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-4-methylpentanamide