CHEBI:10121 - Zizyphine A

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ChEBI Name Zizyphine A
ChEBI ID CHEBI:10121
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H49N5O6
Net Charge 0
Average Mass 611.773
Monoisotopic Mass 611.36828
InChI InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25-,27-,28-,29-/m0/s1
InChIKey NXCUAFMNFVTKHA-YEEQOOFQSA-N
SMILES CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(\C=C/NC(=O)[C@@H]4CCCN4C(=O)[C@@H]12)c(OC)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 Zizyphine A (CHEBI:10121) is a cyclic peptide (CHEBI:23449)
Synonym Source
Zizyphine A KEGG COMPOUND
Manual Xrefs Databases
C00002010 KNApSAcK
C10015 KEGG COMPOUND
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Registry Number Type Source
51059-42-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014