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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > sphingolipid > ceramide > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > sphingolipid > ceramide > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
organooxygen compound > sphingolipid > ceramide > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > ceramide > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
organooxygen compound > carboxamide > ceramide > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > ceramide > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > liposaccharide > glycolipid > glycosphingolipid > neutral glycosphingolipid > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > liposaccharide > glycolipid > glycosphingolipid > neutral glycosphingolipid > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > sphingolipid > glycosphingolipid > neutral glycosphingolipid > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > sphingolipid > glycosphingolipid > neutral glycosphingolipid > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)
... > organooxygen compound > sphingolipid > glycosphingolipid > neutral glycosphingolipid > oligoglycosylceramide > ganglioside gd2 (d18:1/9z-18:1)

Preferred term

ganglioside gd2 (d18:1/9z-18:1)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C78H136N4O34

inchi

  • InChI=1S/C78H136N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(95)82-47(48(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-107-73-65(101)64(100)67(54(41-86)109-73)111-74-66(102)71(68(55(42-87)110-74)112-72-59(81-46(5)90)63(99)61(97)52(39-84)108-72)116-78(76(105)106)37-50(93)58(80-45(4)89)70(115-78)62(98)53(40-85)113-77(75(103)104)36-49(92)57(79-44(3)88)69(114-77)60(96)51(94)38-83/h20-21,32,34,47-55,57-74,83-87,91-94,96-102H,6-19,22-31,33,35-43H2,1-5H3,(H,79,88)(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b21-20-,34-32+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68-,69?,70?,71+,72-,73+,74-,77+,78-/m0/s1

inchikey

  • RXBMZCCWNCEMOZ-YZYIWMAGSA-N

mass

  • 1673.940

monoisotopicmass

  • 1672.90360

smiles

  • O([C@H]1[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)OC[C@H](NC(=O)CCCCCCC/C=C/CCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@@H]1O)CO)[C@]4(OC([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O[C@]5(OC([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)CO)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177551

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