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CHEBI:210539 - Hirsutide

ChEBI IDCHEBI:210539
ChEBI NameHirsutide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40N4O4
Net Charge0
Average Mass568.718
Monoisotopic Mass568.30496
SMILESCC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C34H40N4O4/c1-23(2)30-34(42)38(4)28(21-25-16-10-6-11-17-25)31(39)35-27(20-24-14-8-5-9-15-24)33(41)37(3)29(32(40)36-30)22-26-18-12-7-13-19-26/h5-19,23,27-30H,20-22H2,1-4H3,(H,35,39)(H,36,40)/t27-,28-,29-,30-/m0/s1
InChIKeyYJRWOFGXVILYEW-KRCBVYEFSA-N
Species of MetaboliteComponentSourceComments
Hirsutellaspecies (ncbitaxon:1849806) - PubMed (16124786)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hirsutide (CHEBI:210539) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S)-3,6,12-tribenzyl-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
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10217104ChemSpider