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CHEBI:219356 - Loihichelin B

ChEBI IDCHEBI:219356
ChEBI NameLoihichelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H77N11O20
Net Charge0
Average Mass1104.179
Monoisotopic Mass1103.53463
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)CC(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/C46H77N11O20/c1-4-6-7-8-9-10-11-14-26(62)21-35(64)55-36(37(65)46(74)75)44(72)54-33(24-60)42(70)50-29(17-18-34(47)63)40(68)53-31(22-58)41(69)49-28(15-12-19-56(76)25(3)61)39(67)48-27(5-2)38(66)52-32(23-59)43(71)51-30-16-13-20-57(77)45(30)73/h5,26,28-33,36-37,58-60,62,65,76-77H,4,6-24H2,1-3H3,(H2,47,63)(H,48,67)(H,49,69)(H,50,70)(H,51,71)(H,52,66)(H,53,68)(H,54,72)(H,55,64)(H,74,75)/b27-5-/t26?,28-,29-,30+,31+,32+,33-,36+,37+/m0/s1
InChIKeyPWGQVJAUAUOVSK-CBMOHJOLSA-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 B (CHEBI:219356) 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-3-(3-hydroxydodecanoylamino)-4-oxobutanoic acid
Manual XrefsDatabases
27024192ChemSpider