2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2E,4E)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid (CHEBI:226508)

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CHEBI:226508 - 2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2E,4E)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

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ChEBI ID	CHEBI:226508
ChEBI Name	2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2E,4E)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
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Submitter	MetaboLights
Downloads	Molfile

Formula	C45H73N4O23P
Net Charge	0
Average Mass	1069.058
Monoisotopic Mass	1068.44032
SMILES	CCC(C)CCCCCCCC(C)/C=C(C)/C=C/C(=O)NCC(=O)NC1C(OP(=O)(O)OC(C(=O)O)C(C[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O
InChI	InChI=1S/C45H73N4O23P/c1-5-22(2)11-9-7-6-8-10-12-23(3)17-24(4)13-14-29(52)46-19-31(54)47-32-36(58)34(56)27(20-50)69-43(32)72-73(65,66)71-40(42(62)63)26(68-44-39(61)37(59)35(57)28(21-51)70-44)18-25-33(55)38(60)41(67-25)49-16-15-30(53)48-45(49)64/h13-17,22-23,25-28,32-41,43-44,50-51,55-61H,5-12,18-21H2,1-4H3,(H,46,52)(H,47,54)(H,62,63)(H,65,66)(H,48,53,64)/b14-13+,24-17+/t22?,23?,25-,26?,27?,28?,32?,33-,34?,35?,36?,37?,38-,39?,40?,41-,43?,44?/m1/s1
InChIKey	PHPIZROJYXXSHW-XDEKXSDFSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies SANK 60404 (ncbitaxon:1213862)	-	PubMed (19160520)

ChEBI Ontology

Outgoing Relation(s)
	2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2E,4E)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid (CHEBI:226508) is a N-acyl-hexosamine (CHEBI:21656)

IUPAC Name
2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2E,4E)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

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