N-docosanoyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71114)

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CHEBI:71114 - N-docosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

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ChEBI ID	CHEBI:71114
ChEBI Name	N-docosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII Name	N-docosanoyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Definition	A N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 22 carbons and 0 double bonds.
Last Modified	23 November 2012
Submitter	AnneNiknejad
Downloads	Molfile

Formula	C45H89NO9
Net Charge	0
Average Mass	788.205
Monoisotopic Mass	787.65373
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChI	InChI=1S/C45H89NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-40(49)46-37(35-54-45-44(53)43(52)42(51)39(34-47)55-45)41(50)38(48)32-29-26-23-21-20-22-25-28-31-36(2)3/h36-39,41-45,47-48,50-53H,4-35H2,1-3H3,(H,46,49)/t37-,38+,39+,41-,42+,43-,44+,45+/m0/s1
InChIKey	GURCVLMCHHZEPD-QFMUXUCCSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N-docosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71114) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
	N-docosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71114) is a N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:70814)