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CHEBI:216305 - Hirsutatin A

ChEBI IDCHEBI:216305
ChEBI NameHirsutatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52N4O10
Net Charge0
Average Mass676.808
Monoisotopic Mass676.36834
SMILESCC(C)C[C@@H]1OC(=O)[C@H](C(C)C)OC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C34H52N4O10/c1-18(2)14-25-29(41)37-27(21(7)40)31(43)36-24(17-39)33(45)48-28(20(5)6)34(46)47-26(15-19(3)4)30(42)35-23(32(44)38(25)8)16-22-12-10-9-11-13-22/h9-13,18-21,23-28,39-40H,14-17H2,1-8H3,(H,35,42)(H,36,43)(H,37,41)/t21-,23+,24+,25+,26+,27+,28+/m1/s1
InChIKeyIKUBGKAJYBJGOR-CVSBKWFLSA-N
Species of MetaboliteComponentSourceComments
Hirsutella (ncbitaxon:42367) - PubMed (16309324)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hirsutatin A (CHEBI:216305) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,12S,15S,18S)-15-benzyl-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-13-methyl-12,18-bis(2-methylpropyl)-3-propan-2-yl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
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9882084ChemSpider