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CHEBI:207882 - WAP-8294A2

ChEBI IDCHEBI:207882
ChEBI NameWAP-8294A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H111N17O21
Net Charge0
Average Mass1562.789
Monoisotopic Mass1561.81404
SMILESCC(C)CCCC1CC(=O)NC(CO)C(=O)NC(C(O)C(N)=O)C(=O)NC(CO)C(=O)NCC(=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/C73H111N17O21/c1-38(2)17-14-20-43-32-56(94)80-53(37-92)69(106)88-59(61(98)62(77)99)71(108)87-52(36-91)63(100)79-35-57(95)89(7)54(30-41-18-10-9-11-19-41)70(107)86-49(29-39(3)4)66(103)81-46(23-15-27-74)64(101)82-47(25-26-58(96)97)65(102)85-51(33-55(76)93)68(105)84-50(31-42-34-78-45-22-13-12-21-44(42)45)67(104)83-48(24-16-28-75)72(109)90(8)60(40(5)6)73(110)111-43/h9-13,18-19,21-22,34,38-40,43,46-54,59-61,78,91-92,98H,14-17,20,23-33,35-37,74-75H2,1-8H3,(H2,76,93)(H2,77,99)(H,79,100)(H,80,94)(H,81,103)(H,82,101)(H,83,104)(H,84,105)(H,85,102)(H,86,107)(H,87,108)(H,88,106)(H,96,97)
InChIKeyLEKBQPKGXGFBAN-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-8294A2 (CHEBI:207882) 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)-4,25-dimethyl-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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