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CHEBI:211313 - T987 B

ChEBI IDCHEBI:211313
ChEBI NameT987 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H55N5O7
Net Charge0
Average Mass717.908
Monoisotopic Mass717.41015
SMILESCC(C)C[C@@H]1OC(=O)CCCNC(=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/C40H55N5O7/c1-26(2)23-33-39(50)45-22-14-19-31(45)37(48)42-30(24-28-15-9-7-10-16-28)38(49)44(6)35(27(3)4)40(51)43(5)32(25-29-17-11-8-12-18-29)36(47)41-21-13-20-34(46)52-33/h7-12,15-18,26-27,30-33,35H,13-14,19-25H2,1-6H3,(H,41,47)(H,42,48)/t30-,31-,32-,33-,35-/m0/s1
InChIKeyHCOTXJLNZFZNAB-DDRXXTSWSA-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 B (CHEBI:211313) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,11S,14S,17S,20S)-11,17-dibenzyl-12,15-dimethyl-3-(2-methylpropyl)-14-propan-2-yl-4-oxa-1,9,12,15,18-pentazabicyclo[18.3.0]tricosane-2,5,10,13,16,19-hexone
Manual XrefsDatabases
9051565ChemSpider