(Q77519402)

English

Pseudoalterobactin A

bioactive natural product

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic cyclopeptide

0 references

mass

1,077.392069036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₃N₁₁O₂₁S

0 references

canonical SMILES

NCCCCC1NC(=O)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CC(O)C(N)CCCCNC(=O)c2ccc(S(=O)(=O)O)c(O)c2O)C(O)C(=O)O)CCCCNC(=O)CNC(=O)C(C(O)C(=O)O)NC1=O

0 references

found in taxon

Pseudoalteromonas

1 reference

stated in

Pseudoalterobactin A and B, new siderophores excreted by marine bacterium Pseudoalteromonas sp. KP20-4

Identifiers

InChI

InChI=1S/C41H63N11O21S/c42-12-4-1-8-21-36(63)51-28(32(59)40(67)68)38(65)47-17-27(56)45-13-6-3-9-20(35(62)49-21)50-39(66)29(33(60)41(69)70)52-37(64)22(15-25(44)54)48-26(55)16-23(53)19(43)7-2-5-14-46-34(61)18-10-11-24(74(71,72)73)31(58)30(18)57/h10-11,19-23,28-29,32-33,53,57-60H,1-9,12-17,42-43H2,(H2,44,54)(H,45,56)(H,46,61)(H,47,65)(H,48,55)(H,49,62)(H,50,66)(H,51,63)(H,52,64)(H,67,68)(H,69,70)(H,71,72,73)

0 references

InChIKey

ULYRNACUAOJJBY-UHFFFAOYSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

11434714

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

ULYRNACUAOJJBY-UHFFFAOYSA-N

ChEBI ID

210007

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C41H63N11O21S/c42-12-4-1-8-21-36(63)51-28(32(59)40(67)68)38(65)47-17-27(56)45-13-6-3-9-20(35(62)49-21)50-39(66)29(33(60)41(69)70)52-37(64)22(15-25(44)54)48-26(55)16-23(53)19(43)7-2-5-14-46-34(61)18-10-11-24(74(71,72)73)31(58)30(18)57/h10-11,19-23,28-29,32-33,53,57-60H,1-9,12-17,42-43H2,(H2,44,54)(H,45,56)(H,46,61)(H,47,65)(H,48,55)(H,49,62)(H,50,66)(H,51,63)(H,52,64)(H,67,68)(H,69,70)(H,71,72,73)

1 reference

Natural Product Atlas ID

NPA014081

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ULYRNACUAOJJBY-UHFFFAOYSA-N

(Q77519402)

Pseudoalterobactin A

Statements

Identifiers

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