(Q27108053)

English

pradimicin A

chemical compound

In more languages

Statements

type of chemical entity

0 references

(2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

1 reference

based on heuristic

inferred from SMILES

2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

1 reference

based on heuristic

inferred from SMILES

840.258913±0 dalton

1 reference

language of work or name

Pradimicin A (English)

5 October 2016

stereoisomer of

(2R)-2-[[(5S,6R)-1,6,9,14-tetrahydroxy-5-[(2R,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₄N₂O₁₈

1 reference

language of work or name

Pradimicin A (English)

5 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2C(C3=C(C4=C(C(=C(C=C24)C)C(=O)NC(C)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)OC7C(C(C(CO7)O)O)O)NC

1 reference

language of work or name

Pradimicin A (English)

5 October 2016

isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC

1 reference

language of work or name

Pradimicin A (English)

5 October 2016

Actinomadura hibisca

5 references

The structure of pradimicins A, B and C: a novel family of antifungal antibiotics

Pradimicins A, B and C: New antifungal antibiotics. I. Taxonomy, production, isolation and physico-chemical properties.

Pradimicins M, N, O and P, new dihydrobenzo[a]naphthacenequinones produced by blocked mutants of Actinomadura hibisca P157-2

Biosynthesis of pradimicin A

Pradimicin, a novel class of potent antifungal antibiotics

subject has role

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

anti-HIV agents

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13-,20-,26+,29+,30+,33-,34-,35+,36+,39+,40+/m1/s1

1 reference

language of work or name

Pradimicin A (English)

5 October 2016

WPICPWIIIBCXCV-NJGWPHBESA-N

2 references

language of work or name

Pradimicin A (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

pradimicin A (English)

5 October 2016

CAS Common Chemistry

5 April 2021

https://commonchemistry.cas.org/detail?cas_rn=117704-65-1

WPICPWIIIBCXCV-NJGWPHBESA-N

1 reference

language of work or name

beta-D-galactopyranoside, (5S,6S)-2-[[[(1R)-1-carboxyethyl]amino]carbonyl]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-5-yl 4,6-dideoxy-4-(methylamino)-3 (English)

5 October 2016

2 references

language of work or name

Pradimicin A (English)

5 October 2016

matched by identifier from

WPICPWIIIBCXCV-NJGWPHBESA-N

Reaxys registry number

4645458

1 reference

language of work or name

pradimicin A (English)

5 October 2016

mapping relation type

2 references

language of work or name

pradimicin A (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13-,20-,26+,29+,30+,33-,34-,35+,36+,39+,40+/m1/s1

1 reference

language of work or name

PRADIMICIN A (English)

5 October 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WPICPWIIIBCXCV-NJGWPHBESA-N

UniChem compound ID

1 reference

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WPICPWIIIBCXCV-NJGWPHBESA-N

1 reference

language of work or name

pradimicin A (English)

5 October 2016

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