CHEBI:207511 - Madurastatin C1

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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 Madurastatin C1
ChEBI ID CHEBI:207511
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H37N7O9
Net Charge 0
Average Mass 591.622
Monoisotopic Mass 591.26528
InChI InChI=1S/C26H37N7O9/c1-27-17(24(38)30-18-8-5-13-33(41)26(18)39)7-4-12-32(40)22(36)10-11-28-21(35)14-29-23(37)19-15-42-25(31-19)16-6-2-3-9-20(16)34/h2-3,6,9,17-19,27,34,40-41H,4-5,7-8,10-15H2,1H3,(H,28,35)(H,29,37)(H,30,38)/t17-,18-,19+/m0/s1
InChIKey RHFPNLFQGRPOBC-GBESFXJTSA-N
SMILES O=C1N(O)CCC[C@@H]1NC(=O)[C@@H](NC)CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@@H]2N=C(C3=C(O)C=CC=C3)OC2
Metabolite of Species Details
Actinomadura (NCBI:txid1988) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Madurastatin C1 (CHEBI:207511) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
(4R)-N-[2-[[3-[hydroxy-[(4S)-5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-4-(methylamino)-5-oxopentyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
Manual Xref Database
62277915 ChemSpider
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