Pseudoalterobactin B

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Category Others
Catalog number BBF-02070
CAS
Molecular Weight 1106.08
Molecular Formula C41H63N13O21S

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Description

Pseudoalterobactin B is a siderophore produced by Pseudoalteromonas sp.KP20-R. It has a strong affinity for iron ions.

Specification

IUPAC Name 3-[[4-amino-2-[[4-amino-8-[(2,3-dihydroxy-4-sulfobenzoyl)amino]-3-hydroxyoctanoyl]amino]-4-oxobutanoyl]amino]-4-[[6-[carboxy(hydroxy)methyl]-9-[3-(diaminomethylideneamino)propyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-2-hydroxy-4-oxobutanoic acid
Canonical SMILES C1CCNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C1)NC(=O)C(C(C(=O)O)O)NC(=O)C(CC(=O)N)NC(=O)CC(C(CCCCNC(=O)C2=C(C(=C(C=C2)S(=O)(=O)O)O)O)N)O)CCCN=C(N)N)C(C(=O)O)O
InChI InChI=1S/C41H63N13O21S/c42-18(6-1-3-12-47-33(63)17-9-10-23(76(73,74)75)30(60)29(17)59)22(55)15-25(57)50-21(14-24(43)56)36(66)54-28(32(62)40(71)72)38(68)52-19-7-2-4-11-46-26(58)16-49-37(67)27(31(61)39(69)70)53-35(65)20(51-34(19)64)8-5-13-48-41(44)45/h9-10,18-22,27-28,31-32,55,59-62H,1-8,11-16,42H2,(H2,43,56)(H,46,58)(H,47,63)(H,49,67)(H,50,57)(H,51,64)(H,52,68)(H,53,65)(H,54,66)(H,69,70)(H,71,72)(H4,44,45,48)(H,73,74,75)
InChI Key FMENUGFMERBZKJ-UHFFFAOYSA-N

Properties

Density 1.8±0.1 g/cm3

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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