(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE (CHEBI:40314)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40314 - (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-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:40314
ChEBI Name	(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-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	C21H27N4O7P
Net Charge	0
Average Mass	478.442
Monoisotopic Mass	478.16174
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])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)O[H])c1[H]
InChI	InChI=1S/C21H27N4O7P/c1-13(2)18(25-21(28)31-12-14-7-4-3-5-8-14)33(29,30)32-17(19(26)27)15-9-6-10-16(11-15)24-20(22)23/h3-11,13,17-18H,12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t17-,18+/m0/s1
InChIKey	MGJJGNQEZQSCJT-ZWKOTPCHSA-N

ChEBI Ontology

Outgoing Relation(s)
	(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE (CHEBI:40314) is a unclassifieds (CHEBI:27189)

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

Manual Xrefs	Databases
922	PDBeChem