(Q77375104)

English

Syringomycin A1

bioactive natural product

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic cyclopeptide

0 references

mass

1,196.559264812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₈₁ClN₁₄O₁₇

0 references

canonical SMILES

CC=C1NC(=O)C(Cc2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CO)NC(=O)C(NC(=O)CC(O)CCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O

0 references

isomeric SMILES

C/C=C1\NC(=O)C(Cc2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CO)NC(=O)C(NC(=O)CC(O)CCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O

1 reference

1 reference

Multiple forms of syringomycin

Identifiers

InChI

InChI=1S/C51H81ClN14O17/c1-3-5-6-7-11-15-28(68)23-37(70)58-35-26-83-50(82)38(36(69)24-52)65-48(79)39(40(71)49(80)81)66-41(72)29(4-2)59-45(76)33(22-27-13-9-8-10-14-27)63-42(73)30(16-12-21-57-51(55)56)60-43(74)31(17-19-53)61-44(75)32(18-20-54)62-46(77)34(25-67)64-47(35)78/h4,8-10,13-14,28,30-36,38-40,67-69,71H,3,5-7,11-12,15-26,53-54H2,1-2H3,(H,58,70)(H,59,76)(H,60,74)(H,61,75)(H,62,77)(H,63,73)(H,64,78)(H,65,79)(H,66,72)(H,80,81)(H4,55,56,57)/b29-4-

0 references

InChIKey

VFXHWENMNWQOTJ-SJVJIWFDSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

139584749

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

VFXHWENMNWQOTJ-SJVJIWFDSA-N

ChEBI ID

203061

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C51H81ClN14O17/c1-3-5-6-7-11-15-28(68)23-37(70)58-35-26-83-50(82)38(36(69)24-52)65-48(79)39(40(71)49(80)81)66-41(72)29(4-2)59-45(76)33(22-27-13-9-8-10-14-27)63-42(73)30(16-12-21-57-51(55)56)60-43(74)31(17-19-53)61-44(75)32(18-20-54)62-46(77)34(25-67)64-47(35)78/h4,8-10,13-14,28,30-36,38-40,67-69,71H,3,5-7,11-12,15-26,53-54H2,1-2H3,(H,58,70)(H,59,76)(H,60,74)(H,61,75)(H,62,77)(H,63,73)(H,64,78)(H,65,79)(H,66,72)(H,80,81)(H4,55,56,57)/b29-4-

1 reference

Natural Product Atlas ID

NPA005952

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VFXHWENMNWQOTJ-SJVJIWFDSA-N

(Q77375104)

Syringomycin A1

Statements

Identifiers

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