[(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate (CHEBI:222403)

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CHEBI:222403 - [(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate

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ChEBI ID	CHEBI:222403
ChEBI Name	[(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C55H87NO15
Net Charge	0
Average Mass	1002.293
Monoisotopic Mass	1001.60757
SMILES	CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@](O)(COC(C)=O)[C@@H]1OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12)OC(C)=O
InChI	InChI=1S/C55H87NO15/c1-30(38-20-25-51(11)39(38)21-26-53(13)43(51)18-19-44-52(12)24-15-23-50(9,10)42(52)22-27-54(44,53)14)16-17-40(67-33(4)59)46(69-35(6)61)41(68-34(5)60)28-65-48-45(56-31(2)57)47(70-36(7)62)49(71-37(8)63)55(48,64)29-66-32(3)58/h30,38-49,64H,15-29H2,1-14H3,(H,56,57)/t30?,38-,39+,40?,41?,42+,43-,44-,45-,46?,47-,48-,49+,51+,52+,53-,54-,55-/m1/s1
InChIKey	WGVVKZMRPIAFHM-AXLGNODMSA-N

Species of Metabolite	Component	Source	Comments
Zymomonas mobilis (ncbitaxon:542)	-	DOI (10.1016/0040-4039(96)00133-5)

ChEBI Ontology

Outgoing Relation(s)
	[(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate (CHEBI:222403) is a hopanoid (CHEBI:51963)

IUPAC Name
[(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate

Manual Xrefs	Databases
78445307	ChemSpider