N-({(1R,4AR)-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-2,3,4,4A-TETRAHYDRO-1H-PYRIMIDO[1,2-A]QUINOLIN-1-YL}CARBONYL)SERYLARGINYLSERYL-N~5~-FORMYL-N~1~-[9-{3-[FORMYL(HYDROXY)AMINO]PROPYL}-3,6-BIS(1-HYDROXYETHYL)-2,5,8,11-TETRAOXO-1,4,7,10-TETRAAZACYCLOHEXADECAN-12-YL]-N~5~-HYDROXYORNITHINAMIDE (CHEBI:45184)

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CHEBI:45184 - N-({(1R,4AR)-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-2,3,4,4A-TETRAHYDRO-1H-PYRIMIDO[1,2-A]QUINOLIN-1-YL}CARBONYL)SERYLARGINYLSERYL-N~5~-FORMYL-N~1~-[9-{3-[FORMYL(HYDROXY)AMINO]PROPYL}-3,6-BIS(1-HYDROXYETHYL)-2,5,8,11-TETRAOXO-1,4,7,10-TETRAAZACYCLOHEXADECAN-12-YL]-N~5~-HYDROXYORNITHINAMIDE

Default Structure

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ChEBI ID	CHEBI:45184
ChEBI Name	N-({(1R,4AR)-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-2,3,4,4A-TETRAHYDRO-1H-PYRIMIDO[1,2-A]QUINOLIN-1-YL}CARBONYL)SERYLARGINYLSERYL-N~5~-FORMYL-N~1~-[9-{3-[FORMYL(HYDROXY)AMINO]PROPYL}-3,6-BIS(1-HYDROXYETHYL)-2,5,8,11-TETRAOXO-1,4,7,10-TETRAAZACYCLOHEXADECAN-12-YL]-N~5~-HYDROXYORNITHINAMIDE
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Last Modified	16 May 2008
Downloads	Molfile

Formula	C55H85N17O22
Net Charge	0
Average Mass	1336.382
Monoisotopic Mass	1335.60551
SMILES	[H]/N=C(\N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)N([H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])N(O[H])C([H])=O)C(=O)N([H])[C@@]([H])([C@]([H])(O[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])([C@]([H])(O[H])C([H])([H])[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])N(O[H])C([H])=O)C([H])([H])O[H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N2c3c([H])c(O[H])c(O[H])c([H])c3C([H])=C(N([H])C(=O)C([H])([H])C([H])([H])C(=O)O[H])[C@]2([H])N([H])C([H])([H])C1([H])[H])C([H])([H])O[H]
InChI	InChI=1S/C55H85N17O22/c1-27(77)43-53(91)59-15-4-3-8-30(46(84)63-33(11-7-19-71(94)26-76)49(87)68-44(28(2)78)54(92)69-43)62-47(85)32(10-6-18-70(93)25-75)65-50(88)35(23-73)66-48(86)31(9-5-16-60-55(56)57)64-51(89)36(24-74)67-52(90)37-14-17-58-45-34(61-41(81)12-13-42(82)83)20-29-21-39(79)40(80)22-38(29)72(37)45/h20-22,25-28,30-33,35-37,43-45,58,73-74,77-80,93-94H,3-19,23-24H2,1-2H3,(H,59,91)(H,61,81)(H,62,85)(H,63,84)(H,64,89)(H,65,88)(H,66,86)(H,67,90)(H,68,87)(H,69,92)(H,82,83)(H4,56,57,60)/t27-,28-,30+,31+,32+,33+,35-,36-,37-,43+,44+,45-/m1/s1
InChIKey	IXTLVPXCZJJUQB-ZHVMVSJBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-({(1R,4AR)-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-2,3,4,4A-TETRAHYDRO-1H-PYRIMIDO[1,2-A]QUINOLIN-1-YL}CARBONYL)SERYLARGINYLSERYL-N~5~-FORMYL-N~1~-[9-{3-[FORMYL(HYDROXY)AMINO]PROPYL}-3,6-BIS(1-HYDROXYETHYL)-2,5,8,11-TETRAOXO-1,4,7,10-TETRAAZACYCLOHEXADECAN-12-YL]-N~5~-HYDROXYORNITHINAMIDE (CHEBI:45184) is a unclassifieds (CHEBI:27189)

Synonyms	Source
N-({(1R,4aR)-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-1-yl}carbonyl)-D-seryl-L-arginyl-D-seryl-N~5~-formyl-N-{(3S,6S,9S,12S)-9-{3-[formyl(hydroxy)amino]propyl}-3,6-bis[(1R)-1-hydroxyethyl]-2,5,8,11-tetraoxo-1,4,7,10-tetraazacyclohexadecan-12-yl}-N~5~-hydroxy-L-ornithinamide	PDBeChem
N-({(1R,4AR)-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-2,3,4,4A-TETRAHYDRO-1H-PYRIMIDO[1,2-A]QUINOLIN-1-YL}CARBONYL)SERYLARGINYLSERYL-N~5~-FORMYL-N~1~-[9-{3-[FORMYL(HYDROXY)AMINO]PROPYL}-3,6-BIS(1-HYDROXYETHYL)-2,5,8,11-TETRAOXO-1,4,7,10-TETRAAZACYCLOHEXADECAN-12-YL]-N~5~-HYDROXYORNITHINAMIDE	PDBeChem

Manual Xrefs	Databases
PVD	PDBeChem