CHEBI:220867 - Argimicin A

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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 Argimicin A
ChEBI ID CHEBI:220867
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C32H63N12O8
Net Charge +1
Average Mass 743.931
Monoisotopic Mass 743.48863
InChI InChI=1S/C32H62N12O8/c1-17(2)24(42-28(49)25(18(3)4)41-26(47)22(44(7,8)9)11-10-14-38-31(34)35)27(48)40-20(15-19(45)16-39-32(36)37-5)29(50)43(6)21(30(51)52)12-13-23(33)46/h17-22,24-25,45H,10-16H2,1-9H3,(H12-,33,34,35,36,37,38,39,40,41,42,46,47,48,49,51,52)/p+1/t19-,20+,21+,22-,24-,25+/m1/s1
InChIKey AJXRMWZKJMAIRX-AMNJKWLFSA-O
SMILES O=C(O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([N+](C)(C)C)CCCN=C(N)N)C(C)C)C(C)C)C[C@@H](O)CNC(=NC)N)C)CCC(=O)N
Metabolite of Species Details
Sphingomonasspecies (NCBI:txid28214) 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 )
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ChEBI Ontology
Outgoing Argimicin A (CHEBI:220867) is a peptide (CHEBI:16670)
IUPAC Name
[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S,4R)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-methylamino]-4-hydroxy-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-trimethylazanium
Manual Xref Database
78443822 ChemSpider
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