CHEBI:222231 - Bonnevillamide D

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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 Bonnevillamide D
ChEBI ID CHEBI:222231
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H64Cl2N6O14
Net Charge 0
Average Mass 971.920
Monoisotopic Mass 970.38576
InChI InChI=1S/C44H64Cl2N6O14/c1-19(2)12-29(48-40(58)35(24(9)53)49-39(57)34(65-11)17-26-15-27(45)37(55)28(46)16-26)41(59)51-23(8)33(66-25(10)54)18-31(51)38(56)47-30(13-20(3)4)42(60)52(64)36(21(5)6)43(61)50-22(7)14-32(50)44(62)63/h15-17,19-24,29-33,35-36,53,55,64H,12-14,18H2,1-11H3,(H,47,56)(H,48,58)(H,49,57)(H,62,63)/b34-17-/t22-,23+,24+,29-,30-,31-,32-,33-,35-,36-/m0/s1
InChIKey LMBVXCIECVQZON-HYJPTLHKSA-N
SMILES ClC1=C(O)C(Cl)=CC(=C1)/C=C(\OC)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@H](C(=O)O)C[C@@H]3C)C(C)C)CC(C)C)C[C@@H]([C@H]2C)OC(=O)C)CC(C)C)[C@H](O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Bonnevillamide D (CHEBI:222231) is a oligopeptide (CHEBI:25676)