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CHEBI:205328 - Loihichelin A

ChEBI IDCHEBI:205328
ChEBI NameLoihichelin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H73N11O19
Net Charge0
Average Mass1060.126
Monoisotopic Mass1059.50842
SMILESC/C=C(\NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CCCCCCCCC)[C@@H](O)C(=O)O)C(=O)N[C@H](CO)C(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C44H73N11O19/c1-4-6-7-8-9-10-11-16-33(61)53-34(35(62)44(71)72)42(69)52-31(23-58)40(67)48-27(17-18-32(45)60)38(65)51-29(21-56)39(66)47-26(14-12-19-54(73)24(3)59)37(64)46-25(5-2)36(63)50-30(22-57)41(68)49-28-15-13-20-55(74)43(28)70/h5,26-31,34-35,56-58,62,73-74H,4,6-23H2,1-3H3,(H2,45,60)(H,46,64)(H,47,66)(H,48,67)(H,49,68)(H,50,63)(H,51,65)(H,52,69)(H,53,61)(H,71,72)/b25-5-/t26-,27-,28+,29+,30+,31-,34+,35+/m0/s1
InChIKeyKCHCYEDSKWZGQO-JMXKKZCLSA-N
Species of MetaboliteComponentSourceComments
Halomonasspecies LOB-5 (ncbitaxon:375157) - PubMed (19320498)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Loihichelin A (CHEBI:205328) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R,3R)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(Z)-1-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(decanoylamino)-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
27024191ChemSpider