CHEBI:199392 - Resormycin

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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 Resormycin
ChEBI ID CHEBI:199392
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000014685469
Download Molfile XML SDF
Formula C21H31ClN4O7
Net Charge 0
Average Mass 486.950
Monoisotopic Mass 486.18813
InChI InChI=1S/C21H31ClN4O7/c1-21(2,33)18(26-16(29)10-12(24)5-3-4-6-23)19(30)25-13(20(31)32)7-11-8-14(27)17(22)15(28)9-11/h7-9,12,18,27-28,33H,3-6,10,23-24H2,1-2H3,(H,25,30)(H,26,29)(H,31,32)/b13-7-/t12-,18+/m0/s1
InChIKey LGIARSLOMQCKGX-SMOPJJOVSA-N
SMILES ClC1=C(O)C=C(/C=C(\NC(=O)[C@@H](NC(=O)C[C@@H](N)CCCCN)C(O)(C)C)/C(=O)O)C=C1O
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 Resormycin (CHEBI:199392) is a peptide (CHEBI:16670)
IUPAC Name
(Z)-3-(4-chloro-3,5-dihydroxyphenyl)-2-[[(2S)-2-[[(3S)-3,7-diaminoheptanoyl]amino]-3-hydroxy-3-methylbutanoyl]amino]prop-2-enoic acid
Manual Xref Database
8776376 ChemSpider
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