EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66584 - LMG-4

ChEBI IDCHEBI:66584
ChEBI NameLMG-4
Stars
DefinitionA natural product found in Luidia maculata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC73H133N3O31
Net Charge0
Average Mass1548.857
Monoisotopic Mass1547.89230
SMILES[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CCCCCCCCCCCCC)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@@H](CO)O[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O3)O2)[C@H]1O
InChIInChI=1S/C73H133N3O31/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-47(84)67(95)76-45(56(88)46(83)34-32-30-28-26-24-16-14-12-10-8-6-2)42-100-68-61(93)60(92)63(53(41-80)102-68)103-69-62(94)66(58(90)51(39-78)101-69)107-73(71(98)99)37-49(86)55(75-44(4)82)65(106-73)59(91)52(40-79)104-72(70(96)97)36-48(85)54(74-43(3)81)64(105-72)57(89)50(87)38-77/h45-66,68-69,77-80,83-94H,5-42H2,1-4H3,(H,74,81)(H,75,82)(H,76,95)(H,96,97)(H,98,99)/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66-,68+,69-,72-,73-/m0/s1
InChIKeyVQCKUDCARURQKW-MIIMSBBISA-N
Species of MetaboliteComponentSourceComments
Luidia maculata (ncbitaxon:60584) - PubMed (15305002)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
LMG-4 (CHEBI:66584) has role metabolite (CHEBI:25212)
LMG-4 (CHEBI:66584) is a amino oligosaccharide (CHEBI:22483)
Synonym  Source
1-O-[(N-acetyl-alpha-D-neuraminosyl)-(2->8)-(N-acetyl-alpha-D-neuraminosyl)-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]-ceramideChEBI
Citations