N-acetyl-alpha-D-mannosamine 6-phosphate (CHEBI:62165)

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CHEBI:62165 - N-acetyl-α-D-mannosamine 6-phosphate

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ChEBI Name	N-acetyl-α-D-mannosamine 6-phosphate

ChEBI ID	CHEBI:62165

ChEBI ASCII Name	N-acetyl-alpha-D-mannosamine 6-phosphate

Definition	An N-acetyl-D-mannosamine 6-phosphate having α-configuration at the anomeric centre.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	eMolecules:1935546, ZINC000013815372

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

BMX - Ideal conformer

RDKit 3D

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Time for openFile(BMX - Ideal conformer

RDKit 3D

35 35 0 0 0 0 0 0 0 0999 V2000

-1.5850 -0.4660 -1.4250 C 0 0 1 0 0 0 0 0 0 0 0 0

-2.6640 0.2460 -0.6040 C 0 0 2 0 0 0 0 0 0 0 0 0

-2.1610 1.6370 -0.2100 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.8450 1.4920 0.5620 C 0 0 1 0 0 0 0 0 0 0 0 0

0.1640 0.7330 -0.3030 C 0 0 1 0 0 0 0 0 0 0 0 0

1.4610 0.5310 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.8400 -1.5450 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0

-4.1370 -2.3450 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.9530 -0.5310 0.6040 N 0 0 0 0 0 0 0 0 0 0 0 0

-1.3420 0.2650 -2.6280 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.1320 2.2800 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.3290 2.7880 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.3800 -0.5400 -0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0

2.4410 -0.0730 -0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.3990 -1.8140 -0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0

3.9290 -0.4310 0.1380 P 0 0 0 0 0 0 0 0 0 0 0 0

4.7970 -0.9750 -1.1040 O 0 0 0 0 0 0 0 0 0 0 0 0

4.5690 0.7830 0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0

3.8540 -1.5660 1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.9210 -1.4730 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6680 -0.1290 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.5710 0.3410 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.5060 -0.3160 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.9950 2.2330 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.4500 -3.1890 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.0120 -1.7110 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.1620 -2.7120 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8780 3.1680 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0240 0.9400 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0

0.5050 2.7720 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0

0.3720 1.3060 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8270 1.4960 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0

1.2690 -0.1160 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0

3.4460 -2.3910 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0

5.7060 -1.2110 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0

1 10 1 0

1 2 1 0

1 13 1 0

2 9 1 0

2 3 1 0

9 7 1 0

7 15 2 0

7 8 1 0

3 11 1 0

3 4 1 0

4 12 1 0

4 5 1 0

5 6 1 0

5 13 1 0

6 14 1 0

14 16 1 0

16 18 2 0

16 19 1 0

16 17 1 0

1 20 1 6

10 21 1 0

2 22 1 6

9 23 1 0

3 24 1 6

8 25 1 0

8 26 1 0

8 27 1 0

11 28 1 0

4 29 1 1

12 30 1 0

5 31 1 6

6 32 1 0

6 33 1 0

19 34 1 0

17 35 1 0

M END): 17 ms

reading 35 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

35 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C8H16NO9P

Net Charge

Average Mass

301.188

Monoisotopic Mass

301.05627

InChI

InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1

InChIKey

BRGMHAYQAZFZDJ-UOLFYFMNSA-N

SMILES

O[C@@H]1[C@@H]([C@H](O[C@@H]([C@H]1O)COP(O)(=O)O)O)NC(=O)C

ChEBI Ontology
Outgoing	N-acetyl-α-D-mannosamine 6-phosphate (CHEBI:62165) is a N-acetyl-D-mannosamine 6-phosphate (CHEBI:62168)

IUPAC Name

2-acetamido-2-deoxy-α-D-mannopyranose 6-(dihydrogen phosphate)

Synonyms	Sources
2-(acetylamino)-2-deoxy-6-O-phosphono-α-D-mannopyranose	ChEBI
2-acetamido-2-deoxy-6-O-phosphono-α-D-mannopyranose	IUPAC
2-acetamido-2-deoxy-6-O-phosphono-α-D-mannose	ChEBI

Manual Xrefs	Databases
BMX	PDBeChem
HMDB0001121	HMDB
View more database links

Citations	Types	Sources
22343627	PubMed citation	Europe PMC
23832782	PubMed citation	Europe PMC

Last Modified

25 November 2019

CHEBI:62165 - N-acetyl-α-D-mannosamine 6-phosphate

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