CHEBI:143021 - [N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3

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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 [N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3
ChEBI ID CHEBI:143021
ChEBI ASCII Name [N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3
Definition This name is a guess. Please correct as necessary
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C48H58N3O31
Net Charge -1
Average Mass 1172.983
Monoisotopic Mass 1172.30598
InChI InChI=1S/C48H59N3O31/c52-7-19(49-43(71)16-1-13(4-22(56)28(16)59)40-37(68)34(65)31(62)25(8-53)80-40)47(76)79-12-21(51-45(73)18-3-15(6-24(58)30(18)61)42-39(70)36(67)33(64)27(10-55)82-42)48(77)78-11-20(46(74)75)50-44(72)17-2-14(5-23(57)29(17)60)41-38(69)35(66)32(63)26(9-54)81-41/h1-6,19-21,25-27,31-42,52-70H,7-12H2,(H,49,71)(H,50,72)(H,51,73)(H,74,75)/p-1/t19-,20-,21-,25+,26+,27+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-/m0/s1
InChIKey ZSWUFDUOFUXWEE-DXZSBXLRSA-M
SMILES C([C@H](CO)NC(=O)C1=C(C(=CC(=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)(OC[C@@H](C(OC[C@@H](C([O-])=O)NC(=O)C3=C(C(=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)=O)NC(=O)C5=C(C(=CC(=C5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)=O
ChEBI Ontology
Outgoing [N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3 (CHEBI:143021) is a organic molecular entity (CHEBI:50860)
Synonym Source
[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3 UniProt
Manual Xref Database
CPD-21588 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
16076215 PubMed citation SUBMITTER