CHEBI:219141 - Macyranone B

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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 Macyranone B
ChEBI ID CHEBI:219141
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000049833508
Download Molfile XML SDF
Formula C35H53N5O11
Net Charge 0
Average Mass 719.833
Monoisotopic Mass 719.37416
InChI InChI=1S/C35H53N5O11/c1-18(2)15-24(31(46)40-35(17-19(3)4)26(43)13-14-51-35)36-32(47)27(21(6)41)39-33(48)28(22(7)42)38-30(45)20(5)29(44)37-25(34(49)50)16-23-11-9-8-10-12-23/h8-12,18-22,24-25,27-28,41-42H,13-17H2,1-7H3,(H,36,47)(H,37,44)(H,38,45)(H,39,48)(H,40,46)(H,49,50)/t20?,21-,22+,24-,25-,27-,28-,35?/m0/s1
InChIKey MSPVQUNLNAOKSA-UGPVNDJUSA-N
SMILES O=C1C(OCC1)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)C)[C@H](O)C)[C@@H](O)C)CC(C)C)CC(C)C
Metabolite of Species Details
Cystobacter (NCBI:txid42) 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 Macyranone B (CHEBI:219141) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-4-methyl-1-[[2-(2-methylpropyl)-3-oxooxolan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropanoyl]amino]-3-phenylpropanoic acid
Manual Xref Database
78442822 ChemSpider
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