CHEBI:229927 - temurtide

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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 temurtide
ChEBI ID CHEBI:229927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34N4O12
Net Charge 0
Average Mass 522.508
Monoisotopic Mass 522.21732
InChI InChI=1S/C20H34N4O12/c1-7(26)13(19(33)23-10(17(21)31)4-5-12(28)29)24-18(32)8(2)35-16-14(22-9(3)27)20(34)36-11(6-25)15(16)30/h7-8,10-11,13-16,20,25-26,30,34H,4-6H2,1-3H3,(H2,21,31)(H,22,27)(H,23,33)(H,24,32)(H,28,29)/t7-,8-,10-,11-,13+,14-,15-,16-,20?/m1/s1
InChIKey JJSYIUAIQSRVQR-BLNLWOAQSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O[C@@H](C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@H](CCC(O)=O)C(=O)N)C)[C@@H](NC(=O)C)C1O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
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 temurtide (CHEBI:229927) is a dipeptide (CHEBI:46761)
IUPAC Name
(4R)-4-[[(2S,3R)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoic acid
Manual Xrefs Databases
30791818 ChemSpider
D06069 KEGG DRUG
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