CHEBI:208956 - Diheteropeptin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Diheteropeptin
ChEBI ID CHEBI:208956
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42N4O6
Net Charge 0
Average Mass 530.666
Monoisotopic Mass 530.31044
InChI InChI=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
InChIKey NAOMMKDKLCMCHA-YDXQKAQTSA-N
SMILES O=C1N[C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(NC1(C)C)=O)CCCCC[C@@H](O)[C@H](O)C)CCC2)CC3=CC=CC=C3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
8705657 ChemSpider
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