CHEBI:222562 - Guangomide 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 Guangomide B
ChEBI ID CHEBI:222562
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H46N4O8
Net Charge 0
Average Mass 602.729
Monoisotopic Mass 602.33156
InChI InChI=1S/C31H46N4O8/c1-17(2)15-24-29(39)35(9)23(16-22-13-11-10-12-14-22)26(36)32-19(5)28(38)34(8)21(7)31(41)43-25(18(3)4)27(37)33-20(6)30(40)42-24/h10-14,17-21,23-25H,15-16H2,1-9H3,(H,32,36)(H,33,37)/t19-,20+,21+,23-,24+,25+/m1/s1
InChIKey VZKHONQQPODJMO-HYRPPVSQSA-N
SMILES O=C1O[C@H](C(=O)N[C@H](C(=O)O[C@H](C(=O)N([C@@H](C(N[C@@H](C(N([C@H]1C)C)=O)C)=O)CC2=CC=CC=C2)C)CC(C)C)C)C(C)C
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 Guangomide B (CHEBI:222562) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,12R,15R,18S)-15-benzyl-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-6-propan-2-yl-1,7-dioxa-4,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
10167837 ChemSpider
View more database links