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CHEBI:208643 - Loihichelin C

ChEBI IDCHEBI:208643
ChEBI NameLoihichelin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H75N11O19
Net Charge0
Average Mass1086.164
Monoisotopic Mass1085.52407
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)CCC/C=C\CCCCCC)[C@@H](O)C(=O)O)C(=O)N[C@H](CO)C(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C46H75N11O19/c1-4-6-7-8-9-10-11-12-13-18-35(63)55-36(37(64)46(73)74)44(71)54-33(25-60)42(69)50-29(19-20-34(47)62)40(67)53-31(23-58)41(68)49-28(16-14-21-56(75)26(3)61)39(66)48-27(5-2)38(65)52-32(24-59)43(70)51-30-17-15-22-57(76)45(30)72/h5,10-11,28-33,36-37,58-60,64,75-76H,4,6-9,12-25H2,1-3H3,(H2,47,62)(H,48,66)(H,49,68)(H,50,69)(H,51,70)(H,52,65)(H,53,67)(H,54,71)(H,55,63)(H,73,74)/b11-10-,27-5-/t28-,29-,30+,31+,32+,33-,36+,37+/m0/s1
InChIKeyINUZTVUOUNUWAD-TUHQHBOISA-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 C (CHEBI:208643) 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-[[(Z)-dodec-5-enoyl]amino]-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
27024193ChemSpider