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CHEBI:198692 - T987 A

ChEBI IDCHEBI:198692
ChEBI NameT987 A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H57N5O7
Net Charge0
Average Mass731.935
Monoisotopic Mass731.42580
SMILESCC(C)C[C@@H]1OC(=O)CCCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C41H57N5O7/c1-27(2)24-34-40(51)46-23-15-20-32(46)38(49)43-31(25-29-16-9-7-10-17-29)39(50)45(6)36(28(3)4)41(52)44(5)33(26-30-18-11-8-12-19-30)37(48)42-22-14-13-21-35(47)53-34/h7-12,16-19,27-28,31-34,36H,13-15,20-26H2,1-6H3,(H,42,48)(H,43,49)/t31-,32-,33-,34-,36-/m0/s1
InChIKeyLBIZSPIYLQJQFV-NRYNYGQJSA-N
Species of MetaboliteComponentSourceComments
Cladobotryumspecies (ncbitaxon:2040732) - PubMed (12608823)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
T987 A (CHEBI:198692) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,12S,15S,18S,21S)-12,18-dibenzyl-13,16-dimethyl-3-(2-methylpropyl)-15-propan-2-yl-4-oxa-1,10,13,16,19-pentazabicyclo[19.3.0]tetracosane-2,5,11,14,17,20-hexone
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8570612ChemSpider