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CHEBI:208956 - Diheteropeptin

ChEBI IDCHEBI:208956
ChEBI NameDiheteropeptin
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SubmitterMetaboLights
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FormulaC28H42N4O6
Net Charge0
Average Mass530.666
Monoisotopic Mass530.31044
SMILESC[C@@H](O)[C@H](O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O
InChIInChI=1S/C28H42N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-23,33-34H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35)/t18-,20+,21+,22-,23-/m1/s1
InChIKeyNAOMMKDKLCMCHA-YDXQKAQTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Diheteropeptin (CHEBI:208956) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,9S,12R)-3-benzyl-9-[(6R,7R)-6,7-dihydroxyoctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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