(Q27145120)

English

aclacinomycin Y

chemical compound

MA 144 Y

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

809.326±0 dalton

1 reference

language of work or name

Aclacinomycin Y (English)

8 October 2016

stereoisomer of

methyl (1R,2S,4S)-4-[(2S,4S,5R,6S)-4-(dimethylamino)-5-[(2R,4S,5R,6R)-4-hydroxy-6-methyl-5-[[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₂H₅₁NO₁₅

1 reference

language of work or name

Aclacinomycin Y (English)

8 October 2016

canonical SMILES

CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C=CC(=O)C(O7)C)O)N(C)C)O

1 reference

language of work or name

Aclacinomycin Y (English)

8 October 2016

isomeric SMILES

CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)O)N(C)C)O

1 reference

language of work or name

Aclacinomycin Y (English)

8 October 2016

Identifiers

InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1

1 reference

language of work or name

Aclacinomycin Y (English)

8 October 2016

ADCDIHNCUQOKFP-SVEJIMAYSA-N

1 reference

language of work or name

Aclacinomycin Y (English)

8 October 2016

CAS Registry Number

1 reference

language of work or name

aclacinomycin Y (English)

8 October 2016

1 reference

language of work or name

Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-l (English)

8 October 2016

2 references

language of work or name

Aclacinomycin Y (English)

8 October 2016

matched by identifier from

ADCDIHNCUQOKFP-SVEJIMAYSA-N

1 reference

matched by identifier from

ADCDIHNCUQOKFP-SVEJIMAYSA-N

mapping relation type

3 references

language of work or name

aclacinomycin Y (English)

8 October 2016

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

0 references

DSSTOX compound identifier

DTXCID101412546

0 references

1 reference

language of work or name

aclacinomycin Y (English)

8 October 2016

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