CHEBI:222575 - Loihichelin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Loihichelin D
ChEBI ID CHEBI:222575
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H77N11O19
Net Charge 0
Average Mass 1088.180
Monoisotopic Mass 1087.53972
InChI InChI=1S/C46H77N11O19/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/h5,28-33,36-37,58-60,64,75-76H,4,6-25H2,1-3H3,(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)/b27-5-/t28-,29-,30+,31+,32+,33-,36+,37+/m0/s1
InChIKey OLNWXDSPIWDJOB-QWQUUMHVSA-N
SMILES O=C1N(O)CCC[C@H]1NC(=O)[C@H](NC(=O)/C(/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCC)[C@@H](O)C(=O)O)CO)CCC(=O)N)CO)CCCN(O)C(=O)C)=C/C)CO
Metabolite of Species Details
Halomonasspecies LOB-5 (NCBI:txid375157) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Loihichelin D (CHEBI:222575) 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-(dodecanoylamino)-2-hydroxy-4-oxobutanoic acid
Manual Xref Database
27024194 ChemSpider
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