CHEBI:213146 - Nostosin 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 Nostosin A
ChEBI ID CHEBI:213146
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H35N5O5
Net Charge 0
Average Mass 449.552
Monoisotopic Mass 449.26382
InChI InChI=1S/C22H35N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,13-14,16,18-19,29-30H,3-5,8,11-12H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16+,18?,19+/m1/s1
InChIKey NBAMZGXDVSQHTA-CHLFNJESSA-N
SMILES O=C(N[C@H](C=O)CCCN=C(N)N)[C@@H](NC(=O)C(O)CCC1=CC=C(O)C=C1)[C@@H](CC)C
Metabolite of Species Details
Nostoc (NCBI:txid1177) See: PubMed
ChEBI Ontology
Outgoing Nostosin A (CHEBI:213146) is a phenols (CHEBI:33853)
IUPAC Name
(2S,3R)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide