EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214296 - Loihichelin F

ChEBI IDCHEBI:214296
ChEBI NameLoihichelin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H81N11O19
Net Charge0
Average Mass1116.234
Monoisotopic Mass1115.57102
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)CCCCCCCCCCCCC)[C@@H](O)C(=O)O)C(=O)N[C@H](CO)C(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C48H81N11O19/c1-4-6-7-8-9-10-11-12-13-14-15-20-37(65)57-38(39(66)48(75)76)46(73)56-35(27-62)44(71)52-31(21-22-36(49)64)42(69)55-33(25-60)43(70)51-30(18-16-23-58(77)28(3)63)41(68)50-29(5-2)40(67)54-34(26-61)45(72)53-32-19-17-24-59(78)47(32)74/h5,30-35,38-39,60-62,66,77-78H,4,6-27H2,1-3H3,(H2,49,64)(H,50,68)(H,51,70)(H,52,71)(H,53,72)(H,54,67)(H,55,69)(H,56,73)(H,57,65)(H,75,76)/b29-5-/t30-,31-,32+,33+,34+,35-,38+,39+/m0/s1
InChIKeyGZJZIWPCSWVUTB-AUHSDDICSA-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 F (CHEBI:214296) 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]-2-hydroxy-4-oxo-3-(tetradecanoylamino)butanoic acid
Manual XrefsDatabases
27024196ChemSpider