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CHEBI:224409 - Rotihibin B

ChEBI IDCHEBI:224409
ChEBI NameRotihibin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62N10O14
Net Charge0
Average Mass846.937
Monoisotopic Mass846.44470
SMILESCCCCCCC/C=C/C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CCNC(=O)[C@H](N)[C@H](C)O)C(=O)N[C@@H](C(=O)N[C@@H](CO)CC(N)=O)[C@H](O)C(=O)O
InChIInChI=1S/C35H62N10O14/c1-3-4-5-6-7-8-9-12-25(50)42-21(11-10-14-40-35(38)59)29(52)44-23(18-47)31(54)43-22(13-15-39-32(55)26(37)19(2)48)30(53)45-27(28(51)34(57)58)33(56)41-20(17-46)16-24(36)49/h9,12,19-23,26-28,46-48,51H,3-8,10-11,13-18,37H2,1-2H3,(H2,36,49)(H,39,55)(H,41,56)(H,42,50)(H,43,54)(H,44,52)(H,45,53)(H,57,58)(H3,38,40,59)/b12-9+/t19-,20+,21+,22+,23+,26+,27+,28-/m0/s1
InChIKeyUKZCPYJTHXIGBQ-ZLYGYSDWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7592044)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rotihibin B (CHEBI:224409) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3R)-3-[[(2R)-4-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]-2-[[(2R)-2-[[(2R)-5-(carbamoylamino)-2-[[(E)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]butanoyl]amino]-4-[[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]amino]-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
78443197ChemSpider