CHEBI:212417 - 35-O-beta-D-Galacturonopyranosyl-2-methyl-32,33,34,35-bacteriohopanetetrol

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ChEBI Name 35-O-beta-D-Galacturonopyranosyl-2-methyl-32,33,34,35-bacteriohopanetetrol
ChEBI ID CHEBI:212417
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H72O10
Net Charge 0
Average Mass 737.028
Monoisotopic Mass 736.51255
InChI InChI=1S/C42H72O10/c1-22-19-38(3,4)28-15-18-42(8)30(40(28,6)20-22)12-11-29-39(5)16-13-24(25(39)14-17-41(29,42)7)23(2)9-10-26(43)31(45)27(44)21-51-37-34(48)32(46)33(47)35(52-37)36(49)50/h22-35,37,43-48H,9-21H2,1-8H3,(H,49,50)/t22-,23+,24-,25?,26-,27+,28?,29?,30?,31-,32+,33-,34-,35+,37-,39+,40+,41-,42-/m1/s1
InChIKey JUVWOMZTBBMJEZ-GCZDOJFISA-N
SMILES O=C(O)[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)CC[C@@H]([C@@H]2C3[C@](C4[C@@]([C@]5(C([C@@]6(C(C(C[C@H](C6)C)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@H](O)[C@H]([C@H]1O)O
Metabolite of Species Details
Synechococcus (NCBI:txid1129) See: PubMed
ChEBI Ontology
Outgoing 35-O-beta-D-Galacturonopyranosyl-2-methyl-32,33,34,35-bacteriohopanetetrol (CHEBI:212417) is a hopanoid (CHEBI:51963)
IUPAC Name
(2S,3R,4S,5R,6R)-6-[(2S,3R,4R,7S)-7-[(3R,5aR,5bR,10R,11aS,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid