EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:29583 - Fengycin

ChEBI IDCHEBI:29583
ChEBI NameFengycin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC72H110N12O20
Net Charge0
Average Mass1463.736
Monoisotopic Mass1462.79593
SMILES[H][C@@]12CCCN1C(=O)[C@@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CC(O)CCCCCCCCCCCCC)Cc1ccc(cc1)OC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC2=O
InChIInChI=1S/C72H110N12O20/c1-6-8-9-10-11-12-13-14-15-16-17-20-48(87)41-58(89)76-51(32-35-59(90)91)65(96)77-50(21-18-37-73)64(95)80-55-40-46-25-29-49(30-26-46)104-72(103)61(42(3)7-2)82-67(98)54(39-45-23-27-47(86)28-24-45)81-66(97)52(31-34-57(74)88)78-69(100)56-22-19-38-84(56)71(102)43(4)75-63(94)53(33-36-60(92)93)79-70(101)62(44(5)85)83-68(55)99/h23-30,42-44,48,50-56,61-62,85-87H,6-22,31-41,73H2,1-5H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)/t42-,43-,44+,48?,50-,51+,52+,53+,54+,55-,56+,61+,62+/m1/s1
InChIKeyCUOJDWBMJMRDHN-RLLVTFBRSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fengycin (CHEBI:29583) is a cyclodepsipeptide (CHEBI:35213)
Synonym  Source
FengycinKEGG COMPOUND
Manual XrefsDatabases
C12042KEGG COMPOUND
Registry NumbersSources
CAS:102577-03-7KEGG COMPOUND