CHEBI:214831 - Tsukubachelin 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 Tsukubachelin B
ChEBI ID CHEBI:214831
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H54N10O12
Net Charge 0
Average Mass 734.809
Monoisotopic Mass 734.39227
InChI InChI=1S/C29H54N10O12/c1-31-18(8-4-12-37(49)17-42)25(44)36-23(16-41)29(48)39(51)13-5-9-19(32-2)24(43)33-20(7-3-11-30)26(45)35-22(15-40)27(46)34-21-10-6-14-38(50)28(21)47/h17-23,31-32,40-41,49-51H,3-16,30H2,1-2H3,(H,33,43)(H,34,46)(H,35,45)(H,36,44)/t18-,19-,20-,21+,22?,23?/m0/s1
InChIKey UOBSAMDBIABJEC-GTCOKDGPSA-N
SMILES O=C1N(O)CCC[C@H]1NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C(=O)C(NC(=O)[C@@H](NC)CCCN(O)C=O)CO)CCCN)CO
Metabolite of Species Details
Streptomycesspecies TM-74 (NCBI:txid1122270) 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 Tsukubachelin B (CHEBI:214831) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-5-amino-2-[[(2S)-5-[[2-[[(2S)-5-[ormyl(hydroxy)amino]-2-(methylamino)pentanoyl]amino]-3-hydroxypropanoyl]-hydroxyamino]-2-(methylamino)pentanoyl]amino]-N-[3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]pentanamide
Manual Xref Database
29355789 ChemSpider
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