uproleselan sodium (CHEBI:756458)

CHEBI:756458 - uproleselan sodium

Formula	Na.C60H108N3O27
Net Charge	0
Average Mass	1326.508
Monoisotopic Mass	1325.70679
SMILES	CC[C@H]1C[C@@H](C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2NC(C)=O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+]
InChI	InChI=1S/C60H109N3O27.Na/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4;/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73);/q;+1/p-1/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-;/m0./s1
InChIKey	PXEZBPFEQYCSGD-CVDXTIKBSA-M

ChEBI Ontology

Outgoing Relation(s)
	uproleselan sodium (CHEBI:756458) is a N-acyl-hexosamine (CHEBI:21656)