(4-{2-[(1R,16Z,24E,26E,28Z)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl)oxidanesulfonic acid (CHEBI:184364)

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CHEBI:184364 - (4-{2-[(1R,16Z,24E,26E,28Z)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl)oxidanesulfonic acid

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ChEBI ID	CHEBI:184364
ChEBI Name	(4-{2-[(1R,16Z,24E,26E,28Z)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl)oxidanesulfonic acid
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Submitter	MetaboLights
Downloads	Molfile

Formula	C51H79NO16S
Net Charge	0
Average Mass	994.251
Monoisotopic Mass	993.51196
SMILES	COC1CC2CCC(C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OS(=O)(=O)O)C(OC)C2)CC(=O)C(C)/C=C(\C)C(O)C(OC)C(=O)C(C)CC(C)/C=C\C=C\C=C\1C
InChI	InChI=1S/C51H79NO16S/c1-30-16-12-11-13-17-31(2)42(63-8)28-38-21-19-36(7)51(59,67-38)48(56)49(57)52-23-15-14-18-39(52)50(58)66-43(33(4)26-37-20-22-41(44(27-37)64-9)68-69(60,61)62)29-40(53)32(3)25-35(6)46(55)47(65-10)45(54)34(5)24-30/h11-13,16-17,25,30,32-34,36-39,41-44,46-47,55,59H,14-15,18-24,26-29H2,1-10H3,(H,60,61,62)/b13-11+,16-12-,31-17+,35-25+/t30?,32?,33?,34?,36?,37?,38?,39?,41?,42?,43?,44?,46?,47?,51-/m1/s1
InChIKey	YLXDTRCCCDYLPA-BXLZDDNRSA-N

Species of Metabolite	Component	Source	Comments
Bos taurus (ncbitaxon:9913)
	spermatozoon (BTO:0001277)	MetaboLights (MTBLS1071)	Strain: Holstein-Friesian cattle [26105007]
	spermatozoon (FMA:67338)	MetaboLights (MTBLS1071)	Strain: Holstein-Friesian cattle [26105007]

ChEBI Ontology

Outgoing Relation(s)
	(4-{2-[(1R,16Z,24E,26E,28Z)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl)oxidanesulfonic acid (CHEBI:184364) is a lactam (CHEBI:24995)
	(4-{2-[(1R,16Z,24E,26E,28Z)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl)oxidanesulfonic acid (CHEBI:184364) is a macrolide (CHEBI:25106)

IUPAC Name
[4-[2-[(1R,16Z,24E,26E,28Z)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] hydrogen sulate

Manual Xrefs	Databases
HMDB0127652	HMDB