EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200904 - WAP-8294Ax13

ChEBI IDCHEBI:200904
ChEBI NameWAP-8294Ax13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H113N17O21
Net Charge0
Average Mass1576.816
Monoisotopic Mass1575.82969
SMILESCC(C)CCCC1CC(=O)NC(CO)C(=O)NC(C(O)C(N)=O)C(=O)NC(CO)C(=O)NCCC(=O)N(C)C(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC(CCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(Cc2cnc3ccccc23)C(=O)NC(CCCN)C(=O)N(C)C(C(C)C)C(=O)O1
InChIInChI=1S/C74H113N17O21/c1-39(2)17-14-20-44-34-57(95)81-54(38-93)70(107)89-60(62(99)63(78)100)72(109)88-53(37-92)64(101)79-30-27-58(96)90(7)55(32-42-18-10-9-11-19-42)71(108)87-50(31-40(3)4)67(104)82-47(23-15-28-75)65(102)83-48(25-26-59(97)98)66(103)86-52(35-56(77)94)69(106)85-51(33-43-36-80-46-22-13-12-21-45(43)46)68(105)84-49(24-16-29-76)73(110)91(8)61(41(5)6)74(111)112-44/h9-13,18-19,21-22,36,39-41,44,47-55,60-62,80,92-93,99H,14-17,20,23-35,37-38,75-76H2,1-8H3,(H2,77,94)(H2,78,100)(H,79,101)(H,81,95)(H,82,104)(H,83,102)(H,84,105)(H,85,106)(H,86,103)(H,87,108)(H,88,109)(H,89,107)(H,97,98)
InChIKeyAAAKRYIEEWIEMB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lysobacterspecies (ncbitaxon:72226) - PubMed (9917006)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WAP-8294Ax13 (CHEBI:200904) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[34-(2-amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-31,37-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-4,25-dimethyl-41-(4-methylpentyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36,39-tridecaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,29,32,35,38-dodecazacyclohentetracont-15-yl]propanoic acid
Manual XrefsDatabases
78444631ChemSpider