(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE (CHEBI:40028)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40028 - (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:40028
ChEBI Name	(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Stars
Last Modified	16 May 2008
Downloads	Molfile

Formula	C24H31N4O7P
Net Charge	0
Average Mass	518.507
Monoisotopic Mass	518.19304
SMILES	[H]/N=C(/N([H])[H])N([H])c1c([H])c([H])c([H])c([C@]([H])(O[P@](=O)(O[H])[C@@]([H])(N([H])C(=O)OC([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)O[H])c1[H]
InChI	InChI=1S/C24H31N4O7P/c25-23(26)27-19-13-7-12-18(14-19)20(22(29)30)35-36(32,33)21(17-10-5-2-6-11-17)28-24(31)34-15-16-8-3-1-4-9-16/h1,3-4,7-9,12-14,17,20-21H,2,5-6,10-11,15H2,(H,28,31)(H,29,30)(H,32,33)(H4,25,26,27)/t20-,21+/m0/s1
InChIKey	FYIHWPJXYUZMQA-LEWJYISDSA-N

ChEBI Ontology

Outgoing Relation(s)
	(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE (CHEBI:40028) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE	PDBeChem
(5R,6R,8S)-8-(3-carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide	PDBeChem

Manual Xrefs	Databases
414	PDBeChem