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CHEBI:213410 - WAP-8294Ax9

ChEBI IDCHEBI:213410
ChEBI NameWAP-8294Ax9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H109N17O21
Net Charge0
Average Mass1548.762
Monoisotopic Mass1547.79839
SMILESCC(C)CCCC1CC(=O)NC(CO)C(=O)NC(C(O)C(N)=O)C(=O)NC(CO)C(=O)NCC(=O)NC(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/C72H109N17O21/c1-37(2)16-13-19-42-31-55(93)80-53(36-91)69(106)88-58(60(97)61(76)98)70(107)87-52(35-90)62(99)78-34-56(94)79-49(29-40-17-9-8-10-18-40)66(103)84-48(28-38(3)4)65(102)81-45(22-14-26-73)63(100)82-46(24-25-57(95)96)64(101)86-51(32-54(75)92)68(105)85-50(30-41-33-77-44-21-12-11-20-43(41)44)67(104)83-47(23-15-27-74)71(108)89(7)59(39(5)6)72(109)110-42/h8-12,17-18,20-21,33,37-39,42,45-53,58-60,77,90-91,97H,13-16,19,22-32,34-36,73-74H2,1-7H3,(H2,75,92)(H2,76,98)(H,78,99)(H,79,94)(H,80,93)(H,81,102)(H,82,100)(H,83,104)(H,84,103)(H,85,105)(H,86,101)(H,87,107)(H,88,106)(H,95,96)
InChIKeyXLRIHWZYAMJBJR-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-8294Ax9 (CHEBI:213410) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[33-(2-amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-4-methyl-40-(4-methylpentyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecazacyclotetracont-15-yl]propanoic acid
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